- InChI
- InChI=1S/C14H21NO2/c1-4-6-11-15(5-2)14(16)12-7-9-13(17-3)10-8-12/h7-10H,4-6,11H2,1-3H3
- InChI Key
- PYFBEXAGXADZGP-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
- CCCCN(CC)C(=O)c1ccc(OC)cc1
- Molecular Weight1
- 235.32
- 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 | 0.7085 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.957 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2062.36 | kPa | Joback Calculated Property |
| Inp | [2306.00; 2306.00] |
|
|
| Inp | 2306.00 | NIST | |
| Inp | 2306.00 | NIST | |
| Tboil | 603.73 | K | Relay (1.0) Calculated Property |
| Tc | 785.29 | K | Relay (1.0) Calculated Property |
| Tfus | 316.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.25; 617.48] | J/mol×K | [640.11; 838.70] |
|
| Cp,gas | 532.25 | J/mol×K | 640.11 | Joback Calculated Property |
| Cp,gas | 548.68 | J/mol×K | 673.21 | Joback Calculated Property |
| Cp,gas | 564.18 | J/mol×K | 706.31 | Joback Calculated Property |
| Cp,gas | 578.78 | J/mol×K | 739.41 | Joback Calculated Property |
| Cp,gas | 592.51 | J/mol×K | 772.51 | Joback Calculated Property |
| Cp,gas | 605.40 | J/mol×K | 805.60 | Joback Calculated Property |
| Cp,gas | 617.48 | J/mol×K | 838.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methoxy-N-butyl-N-ethyl-.
Sources
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