- InChI
- InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
- InChI Key
- LPZQTNIAYMRVMF-UHFFFAOYSA-N
- Formula
- C6H12O2S
- SMILES
- CSCCCOC(C)=O
- Molecular Weight1
- 148.22
- CAS
- 16630-55-0
- Other Names
-
- Methionol, acetate
- 1-Propanol, 3-(methylthio)-, acetate
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4511 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.303 | Crippen Calculated Property | |
| McVol | 119.190 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Inp | [1091.00; 1133.00] |
|
|
| Inp | 1091.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1123.00 | NIST | |
| I | [1597.00; 1633.00] |
|
|
| I | 1597.00 | NIST | |
| I | 1627.00 | NIST | |
| I | 1613.00 | NIST | |
| I | 1610.00 | NIST | |
| I | 1633.00 | NIST | |
| Tboil | 474.76 | K | Relay (1.0) Calculated Property |
| Tc | 651.44 | K | Relay (1.0) Calculated Property |
| Tfus | 234.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.41; 303.37] | J/mol×K | [481.75; 681.10] |
|
| Cp,gas | 245.41 | J/mol×K | 481.75 | Joback Calculated Property |
| Cp,gas | 256.09 | J/mol×K | 514.98 | Joback Calculated Property |
| Cp,gas | 266.37 | J/mol×K | 548.20 | Joback Calculated Property |
| Cp,gas | 276.25 | J/mol×K | 581.43 | Joback Calculated Property |
| Cp,gas | 285.71 | J/mol×K | 614.65 | Joback Calculated Property |
| Cp,gas | 294.75 | J/mol×K | 647.88 | Joback Calculated Property |
| Cp,gas | 303.37 | J/mol×K | 681.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(methylthio)propyl acetate.
Sources
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