- InChI
- InChI=1S/C18H21NO/c1-3-4-7-15-9-11-16(12-10-15)18(20)19-17-8-5-6-14(2)13-17/h5-6,8-13H,3-4,7H2,1-2H3,(H,19,20)
- InChI Key
- RBGTWZGRJGRVJU-UHFFFAOYSA-N
- Formula
- C18H21NO
- SMILES
-
CCCCc1ccc(C(=O)Nc2cccc(C)c2)cc
1 - Molecular Weight1
- 267.37
- 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 | 0.7656 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.590 | Crippen Calculated Property | |
| McVol | 228.510 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | 2506.00 | NIST | |
| Tboil | 654.48 | K | Relay (1.0) Calculated Property |
| Tc | 926.33 | K | Relay (1.0) Calculated Property |
| Tfus | 360.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.833 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.09; 732.43] | J/mol×K | [778.60; 1006.16] | 
|
| Cp,gas | 653.09 | J/mol×K | 778.60 | Joback Calculated Property |
| Cp,gas | 669.04 | J/mol×K | 816.53 | Joback Calculated Property |
| Cp,gas | 683.80 | J/mol×K | 854.45 | Joback Calculated Property |
| Cp,gas | 697.46 | J/mol×K | 892.38 | Joback Calculated Property |
| Cp,gas | 710.07 | J/mol×K | 930.31 | Joback Calculated Property |
| Cp,gas | 721.70 | J/mol×K | 968.23 | Joback Calculated Property |
| Cp,gas | 732.43 | J/mol×K | 1006.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-methylphenyl)-4-butyl-.
Sources
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