- InChI
- InChI=1S/C23H39NO2/c1-4-6-8-10-12-14-19-24(18-13-11-9-7-5-2)23(25)21-16-15-17-22(20-21)26-3/h15-17,20H,4-14,18-19H2,1-3H3
- InChI Key
- WQYJKKTVDPIYGW-UHFFFAOYSA-N
- Formula
- C23H39NO2
- SMILES
-
CCCCCCCCN(CCCCCCC)C(=O)c1cccc(
OC)c1 - Molecular Weight1
- 361.56
- 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 | 1.0446 | Relay (1.0) Calculated Property | |
| ΔfG° | 122.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.468 | Crippen Calculated Property | |
| McVol | 328.590 | ml/mol | McGowan Calculated Property |
| Pc | 1063.79 | kPa | Joback Calculated Property |
| Inp | [2673.00; 2673.00] |
|
|
| Inp | 2673.00 | NIST | |
| Inp | 2673.00 | NIST | |
| Tboil | 669.82 | K | Relay (1.0) Calculated Property |
| Tc | 869.32 | K | Relay (1.0) Calculated Property |
| Tfus | 302.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.228 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1049.63; 1147.18] | J/mol×K | [846.03; 1040.58] |
|
| Cp,gas | 1049.63 | J/mol×K | 846.03 | Joback Calculated Property |
| Cp,gas | 1068.62 | J/mol×K | 878.46 | Joback Calculated Property |
| Cp,gas | 1086.46 | J/mol×K | 910.88 | Joback Calculated Property |
| Cp,gas | 1103.18 | J/mol×K | 943.31 | Joback Calculated Property |
| Cp,gas | 1118.85 | J/mol×K | 975.73 | Joback Calculated Property |
| Cp,gas | 1133.50 | J/mol×K | 1008.16 | Joback Calculated Property |
| Cp,gas | 1147.18 | J/mol×K | 1040.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-heptyl-N-octyl-3-methoxy-.
Sources
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