- InChI
- InChI=1S/C23H38O2S/c1-3-5-6-7-8-9-10-11-12-14-17-21(4-2)25-23(24)20-26-22-18-15-13-16-19-22/h13,15-16,18-19,21H,3-12,14,17,20H2,1-2H3
- InChI Key
- NURUGLLITAETTA-UHFFFAOYSA-N
- Formula
- C23H38O2S
- SMILES
-
CCCCCCCCCCCCC(CC)OC(=O)CSc1ccc
cc1 - Molecular Weight1
- 378.61
- 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 | 0.9471 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.412 | Crippen Calculated Property | |
| McVol | 334.960 | ml/mol | McGowan Calculated Property |
| Pc | 1093.54 | kPa | Joback Calculated Property |
| Tboil | 665.49 | K | Relay (1.0) Calculated Property |
| Tc | 865.58 | K | Relay (1.0) Calculated Property |
| Tfus | 302.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.224 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1072.85; 1161.10] | J/mol×K | [896.95; 1104.78] | 
|
| Cp,gas | 1072.85 | J/mol×K | 896.95 | Joback Calculated Property |
| Cp,gas | 1090.66 | J/mol×K | 931.59 | Joback Calculated Property |
| Cp,gas | 1107.16 | J/mol×K | 966.23 | Joback Calculated Property |
| Cp,gas | 1122.41 | J/mol×K | 1000.87 | Joback Calculated Property |
| Cp,gas | 1136.45 | J/mol×K | 1035.51 | Joback Calculated Property |
| Cp,gas | 1149.33 | J/mol×K | 1070.14 | Joback Calculated Property |
| Cp,gas | 1161.10 | J/mol×K | 1104.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, 3-pentadecyl ester.
Sources
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