- InChI
- InChI=1S/C9H16O4S2/c1-3-12-8(10)5-14-7-15-6-9(11)13-4-2/h3-7H2,1-2H3
- InChI Key
- NBNGVIRHOBZBHM-UHFFFAOYSA-N
- Formula
- C9H16O4S2
- SMILES
- CCOC(=O)CSCSCC(=O)OCC
- Molecular Weight1
- 252.36
- 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).
- 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 | 0.6264 | Relay (1.0) Calculated Property | |
| ΔfG° | -529.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.537 | Crippen Calculated Property | |
| McVol | 185.250 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Tboil | 591.76 | K | Relay (1.0) Calculated Property |
| Tc | 777.60 | K | Relay (1.0) Calculated Property |
| Tfus | 285.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.09; 553.04] | 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 | 8.47250e+01 | |||
| Coefficient B | 7.38020e-01 | |||
| Coefficient C | -1.96200e-04 | |||
| Coefficient D | -7.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 318.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 362.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 402.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 439.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 471.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 499.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 522.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 540.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 553.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methylenebis(ethyl thioglycolate).
Sources
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