- InChI
- InChI=1S/C23H39NOS/c1-3-5-7-9-11-16-20-24(19-15-10-8-6-4-2)23(25)21-26-22-17-13-12-14-18-22/h12-14,17-18H,3-11,15-16,19-21H2,1-2H3
- InChI Key
- QADOPNLBBJZLFM-UHFFFAOYSA-N
- Formula
- C23H39NOS
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)CSc1ccc
cc1 - Molecular Weight1
- 377.63
- 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 | 0.9425 | Relay (1.0) Calculated Property | |
| ΔfG° | 270.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.938 | Crippen Calculated Property | |
| McVol | 339.070 | ml/mol | McGowan Calculated Property |
| Pc | 1098.62 | kPa | Joback Calculated Property |
| Inp | [2852.00; 2852.00] |
|
|
| Inp | 2852.00 | NIST | |
| Inp | 2852.00 | NIST | |
| Tboil | 676.67 | K | Relay (1.0) Calculated Property |
| Tc | 881.84 | K | Relay (1.0) Calculated Property |
| Tfus | 305.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.241 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1085.21; 1178.34] | J/mol×K | [887.41; 1092.55] |
|
| Cp,gas | 1085.21 | J/mol×K | 887.41 | Joback Calculated Property |
| Cp,gas | 1103.51 | J/mol×K | 921.60 | Joback Calculated Property |
| Cp,gas | 1120.60 | J/mol×K | 955.79 | Joback Calculated Property |
| Cp,gas | 1136.56 | J/mol×K | 989.98 | Joback Calculated Property |
| Cp,gas | 1151.46 | J/mol×K | 1024.17 | Joback Calculated Property |
| Cp,gas | 1165.36 | J/mol×K | 1058.36 | Joback Calculated Property |
| Cp,gas | 1178.34 | J/mol×K | 1092.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N-heptyl-N-octyl-.
Sources
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