- InChI
- InChI=1S/C26H45NOS/c1-3-5-7-9-11-13-18-22-27(23-19-14-12-10-8-6-4-2)26(28)24-29-25-20-16-15-17-21-25/h15-17,20-21H,3-14,18-19,22-24H2,1-2H3
- InChI Key
- UVWOPRXNFHKUBZ-UHFFFAOYSA-N
- Formula
- C26H45NOS
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)CSc1
ccccc1 - Molecular Weight1
- 419.71
- 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 | 1.0497 | Relay (1.0) Calculated Property | |
| ΔfG° | 295.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.109 | Crippen Calculated Property | |
| McVol | 381.340 | ml/mol | McGowan Calculated Property |
| Pc | 915.50 | kPa | Joback Calculated Property |
| Inp | [3288.00; 3288.00] |
|
|
| Inp | 3288.00 | NIST | |
| Inp | 3288.00 | NIST | |
| Tboil | 696.28 | K | Relay (1.0) Calculated Property |
| Tc | 899.69 | K | Relay (1.0) Calculated Property |
| Tfus | 317.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.404 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1272.50; 1369.42] | J/mol×K | [956.05; 1170.64] |
|
| Cp,gas | 1272.50 | J/mol×K | 956.05 | Joback Calculated Property |
| Cp,gas | 1291.62 | J/mol×K | 991.82 | Joback Calculated Property |
| Cp,gas | 1309.43 | J/mol×K | 1027.58 | Joback Calculated Property |
| Cp,gas | 1326.03 | J/mol×K | 1063.35 | Joback Calculated Property |
| Cp,gas | 1341.50 | J/mol×K | 1099.11 | Joback Calculated Property |
| Cp,gas | 1355.93 | J/mol×K | 1134.88 | Joback Calculated Property |
| Cp,gas | 1369.42 | J/mol×K | 1170.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylthioacetamide, N,N-dinonyl-.
Sources
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