- InChI
- InChI=1S/C13H19NO3/c1-9(2)8-14-13(15)10-5-6-11(16-3)12(7-10)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)
- InChI Key
- VBWABQJMGFHEJR-UHFFFAOYSA-N
- Formula
- C13H19NO3
- SMILES
- COc1ccc(C(=O)NCC(C)C)cc1OC
- Molecular Weight1
- 237.29
- 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 | 0.7279 | Relay (... Calculated Property | |
| ΔfG° | -100.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.49 | kJ/mol | Relay (... Calculated Property |
| IE | 8.11 | eV | Relay (... Calculated Property |
| log10WS | -3.03 | Relay (... Calculated Property | |
| logPoct/wat | 2.090 | Crippen Calculated Property | |
| McVol | 193.560 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | [2087.00; 2087.00] |
|
|
| Inp | 2087.00 | NIST | |
| Inp | 2087.00 | NIST | |
| Tboil | 596.00 | K | Relay (... Calculated Property |
| Tc | 803.37 | K | Relay (... Calculated Property |
| Tfus | 375.22 | K | Relay (... Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.03; 600.17] | J/mol×K | [681.92; 888.57] |
|
| Cp,gas | 523.03 | J/mol×K | 681.92 | Joback Calculated Property |
| Cp,gas | 538.07 | J/mol×K | 716.36 | Joback Calculated Property |
| Cp,gas | 552.23 | J/mol×K | 750.80 | Joback Calculated Property |
| Cp,gas | 565.52 | J/mol×K | 785.25 | Joback Calculated Property |
| Cp,gas | 577.94 | J/mol×K | 819.69 | Joback Calculated Property |
| Cp,gas | 589.49 | J/mol×K | 854.13 | Joback Calculated Property |
| Cp,gas | 600.17 | J/mol×K | 888.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-isobutyl-.
Sources
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