- InChI
- InChI=1S/C15H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18/h2-15H2,1H3,(H,16,17,18)
- InChI Key
- COUMKTRLCGRAAA-UHFFFAOYSA-N
- Formula
- C15H32O4S
- SMILES
- CCCCCCCCCCCCCCCOS(=O)(=O)O
- Molecular Weight1
- 308.48
- CAS
- 45247-34-5
- 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).
- ΔfH°liquid : Liquid phase 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 | 1.1324 | Relay (1.0) Calculated Property | |
| ΔfG° | -634.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -1175.00 ± 8.00 | kJ/mol | NIST |
| ΔfusH° | 51.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.897 | Crippen Calculated Property | |
| McVol | 262.040 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Tboil | 610.83 | K | Relay (1.0) Calculated Property |
| Tc | 811.49 | K | Relay (1.0) Calculated Property |
| Tfus | 350.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.32; 849.55] | J/mol×K | [704.98; 868.67] | 
|
| Cp,gas | 763.32 | J/mol×K | 704.98 | Joback Calculated Property |
| Cp,gas | 779.58 | J/mol×K | 732.26 | Joback Calculated Property |
| Cp,gas | 795.08 | J/mol×K | 759.54 | Joback Calculated Property |
| Cp,gas | 809.82 | J/mol×K | 786.82 | Joback Calculated Property |
| Cp,gas | 823.81 | J/mol×K | 814.11 | Joback Calculated Property |
| Cp,gas | 837.05 | J/mol×K | 841.39 | Joback Calculated Property |
| Cp,gas | 849.55 | J/mol×K | 868.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecyl sulfuric acid.
Sources
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