- InChI
- InChI=1S/C16H17NO3/c1-11-6-4-5-7-13(11)16(18)17-14-10-12(19-2)8-9-15(14)20-3/h4-10H,1-3H3,(H,17,18)
- InChI Key
- OIRYNWFFKUOFHJ-UHFFFAOYSA-N
- Formula
- C16H17NO3
- SMILES
-
COc1ccc(OC)c(NC(=O)c2ccccc2C)c
1 - Molecular Weight1
- 271.31
- 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 | 0.7675 | Relay (1.0) Calculated Property | |
| ΔfG° | 30.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.265 | Crippen Calculated Property | |
| McVol | 212.070 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| Inp | [2322.00; 2322.00] |
|
|
| Inp | 2322.00 | NIST | |
| Inp | 2322.00 | NIST | |
| Tboil | 647.29 | K | Relay (1.0) Calculated Property |
| Tc | 940.33 | K | Relay (1.0) Calculated Property |
| Tfus | 415.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.59; 664.31] | J/mol×K | [782.66; 1012.99] |
|
| Cp,gas | 595.59 | J/mol×K | 782.66 | Joback Calculated Property |
| Cp,gas | 609.93 | J/mol×K | 821.05 | Joback Calculated Property |
| Cp,gas | 623.10 | J/mol×K | 859.44 | Joback Calculated Property |
| Cp,gas | 635.10 | J/mol×K | 897.83 | Joback Calculated Property |
| Cp,gas | 645.96 | J/mol×K | 936.21 | Joback Calculated Property |
| Cp,gas | 655.69 | J/mol×K | 974.60 | Joback Calculated Property |
| Cp,gas | 664.31 | J/mol×K | 1012.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2,5-dimethoxyphenyl)-2-methyl-.
Sources
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