- InChI
- InChI=1S/C4H8S/c1-4(2)5-3/h1H2,2-3H3
- InChI Key
- ITKBWZPRAFZVNW-UHFFFAOYSA-N
- Formula
- C4H8S
- SMILES
- C=C(C)SC
- Molecular Weight1
- 88.17
- CAS
- 7594-44-7
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1774 | Relay (1.0) Calculated Property | |
| PAff | 888.60 | kJ/mol | NIST |
| BasG | 859.70 | kJ/mol | NIST |
| ΔfG° | 95.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.883 | Crippen Calculated Property | |
| McVol | 79.270 | ml/mol | McGowan Calculated Property |
| Pc | 4227.54 | kPa | Joback Calculated Property |
| Tboil | 352.17 | K | Relay (1.0) Calculated Property |
| Tc | 536.53 | K | Relay (1.0) Calculated Property |
| Tfus | 151.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.291 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.18; 223.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.61700e+01 | |||
| Coefficient B | 3.58130e-01 | |||
| Coefficient C | -1.78800e-04 | |||
| Coefficient D | 2.80000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 101.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 121.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 140.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 157.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 172.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 185.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 197.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 207.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 216.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 223.50 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to CH2=C(CH3)-SCH3.
Sources
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