- InChI
- InChI=1S/C17H27NO2/c1-5-6-12-18(13-11-14(2)3)17(19)15-7-9-16(20-4)10-8-15/h7-10,14H,5-6,11-13H2,1-4H3
- InChI Key
- FXZQGTFVDVSDBT-UHFFFAOYSA-N
- Formula
- C17H27NO2
- SMILES
-
CCCCN(CCC(C)C)C(=O)c1ccc(OC)cc
1 - Molecular Weight1
- 277.40
- 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 | 0.7855 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.984 | Crippen Calculated Property | |
| McVol | 244.050 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | [2720.00; 2720.00] |
|
|
| Inp | 2720.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Tboil | 626.96 | K | Relay (1.0) Calculated Property |
| Tc | 807.97 | K | Relay (1.0) Calculated Property |
| Tfus | 318.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.888 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.76; 787.57] | J/mol×K | [708.31; 903.86] |
|
| Cp,gas | 695.76 | J/mol×K | 708.31 | Joback Calculated Property |
| Cp,gas | 713.53 | J/mol×K | 740.90 | Joback Calculated Property |
| Cp,gas | 730.26 | J/mol×K | 773.49 | Joback Calculated Property |
| Cp,gas | 745.99 | J/mol×K | 806.09 | Joback Calculated Property |
| Cp,gas | 760.77 | J/mol×K | 838.68 | Joback Calculated Property |
| Cp,gas | 774.61 | J/mol×K | 871.27 | Joback Calculated Property |
| Cp,gas | 787.57 | J/mol×K | 903.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methoxy-N-butyl-N-3-methylbutyl-.
Sources
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