- InChI
- InChI=1S/C22H37NO/c1-4-6-8-10-12-18-23(19-13-11-9-7-5-2)22(24)21-16-14-20(3)15-17-21/h14-17H,4-13,18-19H2,1-3H3
- InChI Key
- TWRFQRPCDUFJKS-UHFFFAOYSA-N
- Formula
- C22H37NO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)c1ccc(C)
cc1 - Molecular Weight1
- 331.54
- 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 | 0.9514 | Relay (1.0) Calculated Property | |
| ΔfG° | 219.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.378 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Pc | 1146.76 | kPa | Joback Calculated Property |
| Inp | [2466.00; 2466.00] |
|
|
| Inp | 2466.00 | NIST | |
| Inp | 2466.00 | NIST | |
| Tboil | 655.93 | K | Relay (1.0) Calculated Property |
| Tc | 849.97 | K | Relay (1.0) Calculated Property |
| Tfus | 306.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.158 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.75; 1056.26] | J/mol×K | [800.73; 991.77] |
|
| Cp,gas | 956.75 | J/mol×K | 800.73 | Joback Calculated Property |
| Cp,gas | 975.85 | J/mol×K | 832.57 | Joback Calculated Property |
| Cp,gas | 993.88 | J/mol×K | 864.41 | Joback Calculated Property |
| Cp,gas | 1010.88 | J/mol×K | 896.25 | Joback Calculated Property |
| Cp,gas | 1026.91 | J/mol×K | 928.09 | Joback Calculated Property |
| Cp,gas | 1042.02 | J/mol×K | 959.93 | Joback Calculated Property |
| Cp,gas | 1056.26 | J/mol×K | 991.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diheptyl-4-methyl-.
Sources
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