- InChI
- InChI=1S/C12H17NO2/c1-4-13(5-2)11-8-6-7-10(9-11)12(14)15-3/h6-9H,4-5H2,1-3H3
- InChI Key
- ZAYFBWDOCYTRKG-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- CCN(CC)c1cccc(C(=O)OC)c1
- Molecular Weight1
- 207.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 29.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.319 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Inp | [1672.00; 1672.00] |
|
|
| Inp | 1672.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Tboil | 594.35 | K | Joback Calculated Property |
| Tc | 798.55 | K | Joback Calculated Property |
| Tfus | 368.57 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.28; 510.08] | J/mol×K | [594.35; 798.55] |
|
| Cp,gas | 430.28 | J/mol×K | 594.35 | Joback Calculated Property |
| Cp,gas | 445.68 | J/mol×K | 628.38 | Joback Calculated Property |
| Cp,gas | 460.20 | J/mol×K | 662.42 | Joback Calculated Property |
| Cp,gas | 473.88 | J/mol×K | 696.45 | Joback Calculated Property |
| Cp,gas | 486.74 | J/mol×K | 730.49 | Joback Calculated Property |
| Cp,gas | 498.79 | J/mol×K | 764.52 | Joback Calculated Property |
| Cp,gas | 510.08 | J/mol×K | 798.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(diethylamino)-, methyl ester.
Sources
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