- InChI
- InChI=1S/C22H37NOS/c1-3-5-7-9-14-18-23(19-15-10-8-6-4-2)22(24)20-25-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3
- InChI Key
- VNSBBALSCQZYEL-UHFFFAOYSA-N
- Formula
- C22H37NOS
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)CSc1cccc
c1 - Molecular Weight1
- 363.60
- 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 | 0.9060 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.548 | Crippen Calculated Property | |
| McVol | 324.980 | ml/mol | McGowan Calculated Property |
| Pc | 1172.03 | kPa | Joback Calculated Property |
| Inp | [2746.00; 2746.00] |
|
|
| Inp | 2746.00 | NIST | |
| Inp | 2746.00 | NIST | |
| Tboil | 669.94 | K | Relay (1.0) Calculated Property |
| Tc | 872.53 | K | Relay (1.0) Calculated Property |
| Tfus | 309.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.184 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.01; 1116.19] | J/mol×K | [864.53; 1068.21] |
|
| Cp,gas | 1024.01 | J/mol×K | 864.53 | Joback Calculated Property |
| Cp,gas | 1042.11 | J/mol×K | 898.48 | Joback Calculated Property |
| Cp,gas | 1059.02 | J/mol×K | 932.42 | Joback Calculated Property |
| Cp,gas | 1074.82 | J/mol×K | 966.37 | Joback Calculated Property |
| Cp,gas | 1089.58 | J/mol×K | 1000.32 | Joback Calculated Property |
| Cp,gas | 1103.34 | J/mol×K | 1034.27 | Joback Calculated Property |
| Cp,gas | 1116.19 | J/mol×K | 1068.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N,N-diheptyl-.
Sources
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