- InChI
- InChI=1S/C5H10O2S/c1-5(6)7-3-4-8-2/h3-4H2,1-2H3
- InChI Key
- CQIKBSVHIBIPGY-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CSCCOC(C)=O
- Molecular Weight1
- 134.20
- CAS
- 5862-47-5
- ω : Acentric Factor.
- 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).
- Ip : Polar retention indices.
- 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 | 0.4061 | Relay (1.0) Calculated Property | |
| ΔfG° | -286.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.913 | Crippen Calculated Property | |
| McVol | 105.100 | ml/mol | McGowan Calculated Property |
| Pc | 3560.02 | kPa | Joback Calculated Property |
| Ip | [1464.00; 1538.00] |
|
|
| Ip | 1538.00 | NIST | |
| Ip | 1505.00 | NIST | |
| Ip | 1490.00 | NIST | |
| Ip | 1538.00 | NIST | |
| Ip | 1505.00 | NIST | |
| Ip | 1502.00 | NIST | |
| Ip | 1503.00 | NIST | |
| Ip | 1464.00 | NIST | |
| Ip | 1464.00 | NIST | |
| Ip | 1490.00 | NIST | |
| Ip | 1487.00 | NIST | |
| Ip | 1464.00 | NIST | |
| Tboil | 452.76 | K | Relay (1.0) Calculated Property |
| Tc | 643.58 | K | Relay (1.0) Calculated Property |
| Tfus | 221.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.39; 311.98] | 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 | 4.33520e+01 | |||
| Coefficient B | 4.18430e-01 | |||
| Coefficient C | -1.13400e-04 | |||
| Coefficient D | -3.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 200.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 223.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 244.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 263.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 279.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 293.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 311.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(methylthio)ethyl acetate.
Sources
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