- InChI
- InChI=1S/C14H21NO3/c1-10(2)7-8-15-14(16)11-5-6-12(17-3)13(9-11)18-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
- InChI Key
- CNUHWGYPQRLXGA-UHFFFAOYSA-N
- Formula
- C14H21NO3
- SMILES
- COc1ccc(C(=O)NCCC(C)C)cc1OC
- Molecular Weight1
- 251.32
- 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 | 0.7626 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.480 | Crippen Calculated Property | |
| McVol | 207.650 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | [2211.00; 2211.00] |
|
|
| Inp | 2211.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Tboil | 608.70 | K | Relay (1.0) Calculated Property |
| Tc | 820.98 | K | Relay (1.0) Calculated Property |
| Tfus | 368.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.31; 655.50] | J/mol×K | [704.80; 908.86] |
|
| Cp,gas | 576.31 | J/mol×K | 704.80 | Joback Calculated Property |
| Cp,gas | 591.78 | J/mol×K | 738.81 | Joback Calculated Property |
| Cp,gas | 606.34 | J/mol×K | 772.82 | Joback Calculated Property |
| Cp,gas | 619.98 | J/mol×K | 806.83 | Joback Calculated Property |
| Cp,gas | 632.72 | J/mol×K | 840.84 | Joback Calculated Property |
| Cp,gas | 644.55 | J/mol×K | 874.85 | Joback Calculated Property |
| Cp,gas | 655.50 | J/mol×K | 908.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-dimethoxy-N-(3-methylbutyl)-.
Sources
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