- InChI
- InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-14-17-21-20(22)18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3,(H,21,22)
- InChI Key
- ZGMWRTWHCVABLN-UHFFFAOYSA-N
- Formula
- C20H33NO
- SMILES
- CCCCCCCCCCCCNC(=O)Cc1ccccc1
- Molecular Weight1
- 303.49
- 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 | 0.9155 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.266 | Crippen Calculated Property | |
| McVol | 280.450 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | [2536.00; 2536.00] |
|
|
| Inp | 2536.00 | NIST | |
| Inp | 2536.00 | NIST | |
| Tboil | 627.65 | K | Relay (1.0) Calculated Property |
| Tc | 862.68 | K | Relay (1.0) Calculated Property |
| Tfus | 324.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [858.34; 951.34] | J/mol×K | [787.92; 981.60] |
|
| Cp,gas | 858.34 | J/mol×K | 787.92 | Joback Calculated Property |
| Cp,gas | 876.28 | J/mol×K | 820.20 | Joback Calculated Property |
| Cp,gas | 893.18 | J/mol×K | 852.48 | Joback Calculated Property |
| Cp,gas | 909.08 | J/mol×K | 884.76 | Joback Calculated Property |
| Cp,gas | 924.04 | J/mol×K | 917.04 | Joback Calculated Property |
| Cp,gas | 938.11 | J/mol×K | 949.32 | Joback Calculated Property |
| Cp,gas | 951.34 | J/mol×K | 981.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetamide, N-dodecyl-.
Sources
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