- InChI
- InChI=1S/C19H28O2S/c1-2-3-4-5-6-7-8-9-13-16-21-19(20)17-22-18-14-11-10-12-15-18/h2,10-12,14-15H,1,3-9,13,16-17H2
- InChI Key
- HRLFUSLYOOAIFI-UHFFFAOYSA-N
- Formula
- C19H28O2S
- SMILES
- C=CCCCCCCCCCOC(=O)CSc1ccccc1
- Molecular Weight1
- 320.49
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 108.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 5.629 | Crippen Calculated Property | |
| McVol | 274.300 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| Inp | [2393.00; 2393.00] |
|
|
| Inp | 2393.00 | NIST | |
| Inp | 2393.00 | NIST | |
| Tboil | 802.55 | K | Joback Calculated Property |
| Tc | 1009.36 | K | Joback Calculated Property |
| Tfus | 435.11 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.95; 889.63] | J/mol×K | [802.55; 1009.36] |
|
| Cp,gas | 805.95 | J/mol×K | 802.55 | Joback Calculated Property |
| Cp,gas | 822.59 | J/mol×K | 837.02 | Joback Calculated Property |
| Cp,gas | 838.09 | J/mol×K | 871.49 | Joback Calculated Property |
| Cp,gas | 852.51 | J/mol×K | 905.95 | Joback Calculated Property |
| Cp,gas | 865.88 | J/mol×K | 940.42 | Joback Calculated Property |
| Cp,gas | 878.24 | J/mol×K | 974.89 | Joback Calculated Property |
| Cp,gas | 889.63 | J/mol×K | 1009.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid, undec-10-enyl ester.
Sources
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