Datasets:
kanhatakeyama
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material-properties

Dataset card Data Studio Files
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 Community
1
CompName
stringlengths
3
64
SMILES
stringlengths
1
590
⌀
Property
stringclasses
18 values
Value
float64
-268.93
426k
unit
stringclasses
13 values
Source
stringclasses
1 value
Silicon carbide
[C-]#[Si+]
Melting temperature
2,830
[oC]
Wikipedia/Wikidata
Estradiol
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O
Absolute molar magnetic susceptibility
186.6
[10^-6 cm3/mol]
Wikipedia/Wikidata
Silver nitrate
[N+](=O)([O-])[O-].[Ag+]
Refractive index
1.744
[-]
Wikipedia/Wikidata
Silver nitrate
[N+](=O)([O-])[O-].[Ag+]
Melting temperature
209.7
[oC]
Wikipedia/Wikidata
Silver nitrate
[N+](=O)([O-])[O-].[Ag+]
Absolute molar magnetic susceptibility
45.7
[10^-6 cm3/mol]
Wikipedia/Wikidata
Silver nitrate
[N+](=O)([O-])[O-].[Ag+]
Partition coefficient
0.19
[-]
Wikipedia/Wikidata
Silver nitrate
[N+](=O)([O-])[O-].[Ag+]
Boiling temperature
440
[oC]
Wikipedia/Wikidata
Nickel tetracarbonyl
[O+]#C[Ni-4](C#[O+])(C#[O+])C#[O+]
Viscosity
0.305
[mPas]
Wikipedia/Wikidata
Nickel tetracarbonyl
[O+]#C[Ni-4](C#[O+])(C#[O+])C#[O+]
Melting temperature
-17.2
[oC]
Wikipedia/Wikidata
Nickel tetracarbonyl
[O+]#C[Ni-4](C#[O+])(C#[O+])C#[O+]
Density
1.319
[g/cm3]
Wikipedia/Wikidata
Nickel tetracarbonyl
[O+]#C[Ni-4](C#[O+])(C#[O+])C#[O+]
Absolute standard enthalpy of formation
632
[kJ/mol]
Wikipedia/Wikidata
Nickel tetracarbonyl
[O+]#C[Ni-4](C#[O+])(C#[O+])C#[O+]
Boiling temperature
43
[oC]
Wikipedia/Wikidata
Propylene glycol
CC(O)CO
Viscosity
42
[mPas]
Wikipedia/Wikidata
Propylene glycol
CC(O)CO
Thermal Conductivity
0.34
[W/m/K]
Wikipedia/Wikidata
Propylene glycol
CC(O)CO
Melting temperature
-59
[oC]
Wikipedia/Wikidata
Propylene glycol
CC(O)CO
Density
1.036
[g/cm3]
Wikipedia/Wikidata
Propylene glycol
CC(O)CO
Boiling temperature
188.2
[oC]
Wikipedia/Wikidata
Butyric acid
O=C(O)CCC
Melting temperature
-5.1
[oC]
Wikipedia/Wikidata
Butyric acid
O=C(O)CCC
Absolute molar magnetic susceptibility
55.1
[10^-6 cm3/mol]
Wikipedia/Wikidata
Butyric acid
O=C(O)CCC
Boiling temperature
163.75
[oC]
Wikipedia/Wikidata
Alizarin
O=C2c1ccccc1C(=O)c3c2ccc(O)c3O
Density
1.54
[g/cm3]
Wikipedia/Wikidata
Alizarin
O=C2c1ccccc1C(=O)c3c2ccc(O)c3O
Boiling temperature
430
[oC]
Wikipedia/Wikidata
Potassium carbonate
C(=O)([O-])[O-].[K+].[K+]
Melting temperature
891
[oC]
Wikipedia/Wikidata
Potassium carbonate
C(=O)([O-])[O-].[K+].[K+]
Absolute molar magnetic susceptibility
59
[10^-6 cm3/mol]
Wikipedia/Wikidata
Potassium carbonate
C(=O)([O-])[O-].[K+].[K+]
Density
2.43
[g/cm3]
Wikipedia/Wikidata
Lead(II) nitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pb+2]
Melting temperature
470
[oC]
Wikipedia/Wikidata
Lead(II) nitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pb+2]
Density
4.7
[g/cm3]
Wikipedia/Wikidata
Arsine
[AsH3]
Melting temperature
-111.2
[oC]
Wikipedia/Wikidata
Arsine
[AsH3]
Dipole Moment
0.2
[debye]
Wikipedia/Wikidata
Arsine
[AsH3]
Density
4.93
[g/cm3]
Wikipedia/Wikidata
Arsine
[AsH3]
Absolute standard enthalpy of formation
66.4
[kJ/mol]
Wikipedia/Wikidata
Arsine
[AsH3]
Boiling temperature
-62.5
[oC]
Wikipedia/Wikidata
Tetrahydrofuran
C1CCOC1
Viscosity
0.48
[mPas]
Wikipedia/Wikidata
Tetrahydrofuran
C1CCOC1
Melting temperature
-108.4
[oC]
Wikipedia/Wikidata
Tetrahydrofuran
C1CCOC1
Dipole Moment
1.63
[debye]
Wikipedia/Wikidata
Tetrahydrofuran
C1CCOC1
Density
0.8892
[g/cm3]
Wikipedia/Wikidata
Tetrahydrofuran
C1CCOC1
Boiling temperature
66
[oC]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Vapor pressure
11.94
[kPa]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Refractive index
1.4607
[-]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Melting temperature
-22.92
[oC]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Absolute molar magnetic susceptibility
66.6
[10^-6 cm3/mol]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Partition coefficient
2.64
[-]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Molar Heat Capacity
132.6
[J/mol/K]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Dipole Moment
0
[debye]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Density
1.5867
[g/cm3]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Absolute standard enthalpy of formation
139.3
[kJ/mol]
Wikipedia/Wikidata
Carbon tetrachloride
ClC(Cl)(Cl)Cl
Boiling temperature
76.72
[oC]
Wikipedia/Wikidata
1,4-Dichlorobenzene
ClC1=CC=C(Cl)C=C1
Melting temperature
53.5
[oC]
Wikipedia/Wikidata
1,4-Dichlorobenzene
ClC1=CC=C(Cl)C=C1
Absolute molar magnetic susceptibility
82.93
[10^-6 cm3/mol]
Wikipedia/Wikidata
1,4-Dichlorobenzene
ClC1=CC=C(Cl)C=C1
Density
1.25
[g/cm3]
Wikipedia/Wikidata
1,4-Dichlorobenzene
ClC1=CC=C(Cl)C=C1
Boiling temperature
174
[oC]
Wikipedia/Wikidata
Tetrachloroethylene
Cl/C(Cl)=C(/Cl)Cl
Viscosity
0.89
[mPas]
Wikipedia/Wikidata
Tetrachloroethylene
Cl/C(Cl)=C(/Cl)Cl
Melting temperature
-19
[oC]
Wikipedia/Wikidata
Tetrachloroethylene
Cl/C(Cl)=C(/Cl)Cl
Absolute molar magnetic susceptibility
81.6
[10^-6 cm3/mol]
Wikipedia/Wikidata
Tetrachloroethylene
Cl/C(Cl)=C(/Cl)Cl
Density
1.622
[g/cm3]
Wikipedia/Wikidata
Tetrachloroethylene
Cl/C(Cl)=C(/Cl)Cl
Boiling temperature
121.1
[oC]
Wikipedia/Wikidata
Carbon disulfide
C(=S)=S
Viscosity
0.436
[mPas]
Wikipedia/Wikidata
Carbon disulfide
C(=S)=S
Melting temperature
-111.61
[oC]
Wikipedia/Wikidata
Carbon disulfide
C(=S)=S
Absolute molar magnetic susceptibility
42.2
[10^-6 cm3/mol]
Wikipedia/Wikidata
Carbon disulfide
C(=S)=S
Boiling temperature
46.24
[oC]
Wikipedia/Wikidata
Malic acid
O=C(O)CC(O)C(=O)O
Melting temperature
130
[oC]
Wikipedia/Wikidata
Malic acid
O=C(O)CC(O)C(=O)O
Density
1.609
[g/cm3]
Wikipedia/Wikidata
Nitromethane
C[N+](=O)[O-]
Viscosity
0.63
[mPas]
Wikipedia/Wikidata
Nitromethane
C[N+](=O)[O-]
Thermal Conductivity
0.204
[W/m/K]
Wikipedia/Wikidata
Nitromethane
C[N+](=O)[O-]
Melting temperature
-28.7
[oC]
Wikipedia/Wikidata
Nitromethane
C[N+](=O)[O-]
Absolute molar magnetic susceptibility
21
[10^-6 cm3/mol]
Wikipedia/Wikidata
Nitromethane
C[N+](=O)[O-]
Molar Heat Capacity
106.6
[J/mol/K]
Wikipedia/Wikidata
Nitromethane
C[N+](=O)[O-]
Boiling temperature
101.2
[oC]
Wikipedia/Wikidata
Magnesium sulfate
[Mg+2].[O-]S([O-])(=O)=O
Refractive index
1.523
[-]
Wikipedia/Wikidata
Magnesium sulfate
[Mg+2].[O-]S([O-])(=O)=O
Absolute molar magnetic susceptibility
50
[10^-6 cm3/mol]
Wikipedia/Wikidata
Magnesium sulfate
[Mg+2].[O-]S([O-])(=O)=O
Density
2.66
[g/cm3]
Wikipedia/Wikidata
Phenacyl chloride
c1ccc(cc1)C(=O)CCl
Density
1.324
[g/cm3]
Wikipedia/Wikidata
Phenacyl chloride
c1ccc(cc1)C(=O)CCl
Boiling temperature
244.5
[oC]
Wikipedia/Wikidata
Phosphine
P
Refractive index
2.144
[-]
Wikipedia/Wikidata
Phosphine
P
Melting temperature
-132.8
[oC]
Wikipedia/Wikidata
Phosphine
P
Molar Heat Capacity
37
[J/mol/K]
Wikipedia/Wikidata
Phosphine
P
Dipole Moment
0.58
[debye]
Wikipedia/Wikidata
Phosphine
P
Density
1.379
[g/cm3]
Wikipedia/Wikidata
Phosphine
P
Boiling temperature
-87.7
[oC]
Wikipedia/Wikidata
Chloral hydrate
ClC(Cl)(Cl)C(O)O
Melting temperature
57
[oC]
Wikipedia/Wikidata
Chloral hydrate
ClC(Cl)(Cl)C(O)O
Partition coefficient
0.99
[-]
Wikipedia/Wikidata
Chloral hydrate
ClC(Cl)(Cl)C(O)O
Density
1.9081
[g/cm3]
Wikipedia/Wikidata
Chloral hydrate
ClC(Cl)(Cl)C(O)O
Boiling temperature
98
[oC]
Wikipedia/Wikidata
Anthracene
c1ccc=2cc3ccccc3cc2c1
Melting temperature
216
[oC]
Wikipedia/Wikidata
Anthracene
c1ccc=2cc3ccccc3cc2c1
Absolute molar magnetic susceptibility
130
[10^-6 cm3/mol]
Wikipedia/Wikidata
Anthracene
c1ccc=2cc3ccccc3cc2c1
Partition coefficient
4.56
[-]
Wikipedia/Wikidata
Anthracene
c1ccc=2cc3ccccc3cc2c1
Molar Heat Capacity
210.5
[J/mol/K]
Wikipedia/Wikidata
Anthracene
c1ccc=2cc3ccccc3cc2c1
Absolute standard enthalpy of formation
129.2
[kJ/mol]
Wikipedia/Wikidata
Anthracene
c1ccc=2cc3ccccc3cc2c1
Boiling temperature
341.3
[oC]
Wikipedia/Wikidata
Bromochlorodifluoromethane
C(F)(F)(Cl)Br
Melting temperature
-159.5
[oC]
Wikipedia/Wikidata
Bromochlorodifluoromethane
C(F)(F)(Cl)Br
Density
7
[g/cm3]
Wikipedia/Wikidata
Bromochlorodifluoromethane
C(F)(F)(Cl)Br
Boiling temperature
-3.7
[oC]
Wikipedia/Wikidata
Gallic acid
O=C(O)c1cc(O)c(O)c(O)c1
Melting temperature
260
[oC]
Wikipedia/Wikidata
Gallic acid
O=C(O)c1cc(O)c(O)c(O)c1
Absolute molar magnetic susceptibility
90
[10^-6 cm3/mol]
Wikipedia/Wikidata
Gallic acid
O=C(O)c1cc(O)c(O)c(O)c1
Partition coefficient
0.7
[-]
Wikipedia/Wikidata
Gallic acid
O=C(O)c1cc(O)c(O)c(O)c1
Density
1.694
[g/cm3]
Wikipedia/Wikidata
Polyethylene terephthalate
null
Melting temperature
250
[oC]
Wikipedia/Wikidata
Polyethylene terephthalate
null
Boiling temperature
350
[oC]
Wikipedia/Wikidata
Ammonium chloride
[Cl-].[NH4+]
Density
4.46
[g/cm3]
Wikipedia/Wikidata
Bromotrifluoromethane
BrC(F)(F)F
Vapor pressure
1,434
[kPa]
Wikipedia/Wikidata