- InChI
- InChI=1S/C12H24O2S/c1-2-3-4-5-6-7-10-15-11-8-9-12(13)14/h2-11H2,1H3,(H,13,14)
- InChI Key
- GUDSRDGLYIGGNX-UHFFFAOYSA-N
- Formula
- C12H24O2S
- SMILES
- CCCCCCCCSCCCC(=O)O
- Molecular Weight1
- 232.38
- CAS
- 116346-23-7
- 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 | 0.8893 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.945 | Crippen Calculated Property | |
| McVol | 203.730 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Tboil | 594.68 | K | Relay (1.0) Calculated Property |
| Tc | 779.19 | K | Relay (1.0) Calculated Property |
| Tfus | 314.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.69; 633.81] | J/mol×K | [688.79; 868.96] | 
|
| Cp,gas | 561.69 | J/mol×K | 688.79 | Joback Calculated Property |
| Cp,gas | 575.34 | J/mol×K | 718.82 | Joback Calculated Property |
| Cp,gas | 588.32 | J/mol×K | 748.85 | Joback Calculated Property |
| Cp,gas | 600.64 | J/mol×K | 778.88 | Joback Calculated Property |
| Cp,gas | 612.31 | J/mol×K | 808.91 | Joback Calculated Property |
| Cp,gas | 623.36 | J/mol×K | 838.93 | Joback Calculated Property |
| Cp,gas | 633.81 | J/mol×K | 868.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Octylthio)butyric acid.
Sources
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