- InChI
- InChI=1S/C28H49NOS/c1-3-5-7-9-11-13-15-20-24-29(25-21-16-14-12-10-8-6-4-2)28(30)26-31-27-22-18-17-19-23-27/h17-19,22-23H,3-16,20-21,24-26H2,1-2H3
- InChI Key
- BTROQBOSTNMHHP-UHFFFAOYSA-N
- Formula
- C28H49NOS
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)CS
c1ccccc1 - Molecular Weight1
- 447.76
- 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 | 1.1207 | Relay (1.0) Calculated Property | |
| ΔfG° | 312.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.889 | Crippen Calculated Property | |
| McVol | 409.520 | ml/mol | McGowan Calculated Property |
| Pc | 817.73 | kPa | Joback Calculated Property |
| Tboil | 708.84 | K | Relay (1.0) Calculated Property |
| Tc | 912.33 | K | Relay (1.0) Calculated Property |
| Tfus | 321.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1399.99; 1500.64] | J/mol×K | [1001.81; 1227.58] | 
|
| Cp,gas | 1399.99 | J/mol×K | 1001.81 | Joback Calculated Property |
| Cp,gas | 1419.92 | J/mol×K | 1039.44 | Joback Calculated Property |
| Cp,gas | 1438.44 | J/mol×K | 1077.07 | Joback Calculated Property |
| Cp,gas | 1455.66 | J/mol×K | 1114.70 | Joback Calculated Property |
| Cp,gas | 1471.70 | J/mol×K | 1152.33 | Joback Calculated Property |
| Cp,gas | 1486.65 | J/mol×K | 1189.96 | Joback Calculated Property |
| Cp,gas | 1500.64 | J/mol×K | 1227.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N,N-didecyl-.
Sources
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