- InChI
- InChI=1S/C7H14O2S/c1-3-5-9-7(8)4-6-10-2/h3-6H2,1-2H3
- InChI Key
- UTOMWOGUUQOAAR-UHFFFAOYSA-N
- Formula
- C7H14O2S
- SMILES
- CCCOC(=O)CCSC
- Molecular Weight1
- 162.25
- Other Names
-
- propyl 3-(methylthio)propanoate
- 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).
- I : 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 | 0.4926 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.693 | Crippen Calculated Property | |
| McVol | 133.280 | ml/mol | McGowan Calculated Property |
| Pc | 2995.87 | kPa | Joback Calculated Property |
| I | 1649.00 | NIST | |
| Tboil | 483.73 | K | Relay (1.0) Calculated Property |
| Tc | 657.57 | K | Relay (1.0) Calculated Property |
| Tfus | 219.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.52; 351.49] | J/mol×K | [504.63; 701.40] | 
|
| Cp,gas | 287.52 | J/mol×K | 504.63 | Joback Calculated Property |
| Cp,gas | 299.37 | J/mol×K | 537.42 | Joback Calculated Property |
| Cp,gas | 310.75 | J/mol×K | 570.22 | Joback Calculated Property |
| Cp,gas | 321.65 | J/mol×K | 603.01 | Joback Calculated Property |
| Cp,gas | 332.08 | J/mol×K | 635.81 | Joback Calculated Property |
| Cp,gas | 342.03 | J/mol×K | 668.60 | Joback Calculated Property |
| Cp,gas | 351.49 | J/mol×K | 701.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl 3-(methylthio)propionate.
Sources
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