- InChI
- InChI=1S/C24H41NOS/c1-3-5-7-9-11-16-20-25(21-17-12-10-8-6-4-2)24(26)22-27-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3
- InChI Key
- BDMYCYCVJNLJRO-UHFFFAOYSA-N
- Formula
- C24H41NOS
- SMILES
-
CCCCCCCCN(CCCCCCCC)C(=O)CSc1cc
ccc1 - Molecular Weight1
- 391.65
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9783 | Relay (1.0) Calculated Property | |
| ΔfG° | 278.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.328 | Crippen Calculated Property | |
| McVol | 353.160 | ml/mol | McGowan Calculated Property |
| Pc | 1031.91 | kPa | Joback Calculated Property |
| Inp | [2974.00; 2974.00] |
|
|
| Inp | 2974.00 | NIST | |
| Inp | 2974.00 | NIST | |
| Tboil | 683.34 | K | Relay (1.0) Calculated Property |
| Tc | 886.43 | K | Relay (1.0) Calculated Property |
| Tfus | 313.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.294 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1147.06; 1241.27] | J/mol×K | [910.29; 1117.70] |
|
| Cp,gas | 1147.06 | J/mol×K | 910.29 | Joback Calculated Property |
| Cp,gas | 1165.59 | J/mol×K | 944.86 | Joback Calculated Property |
| Cp,gas | 1182.88 | J/mol×K | 979.43 | Joback Calculated Property |
| Cp,gas | 1199.02 | J/mol×K | 1013.99 | Joback Calculated Property |
| Cp,gas | 1214.09 | J/mol×K | 1048.56 | Joback Calculated Property |
| Cp,gas | 1228.14 | J/mol×K | 1083.13 | Joback Calculated Property |
| Cp,gas | 1241.27 | J/mol×K | 1117.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N,N-dioctyl-.
Sources
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