- InChI
- InChI=1S/C13H17NO3/c1-14(2)12(15)9-6-10-17-13(16)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
- InChI Key
- FNROXVCRPXYLRT-UHFFFAOYSA-N
- Formula
- C13H17NO3
- SMILES
- CN(C)C(=O)CCCOC(=O)c1ccccc1
- Molecular Weight1
- 235.28
- 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).
- 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° | -81.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Aq. Sol... | |
| logPoct/wat | 1.712 | Crippen Calculated Property | |
| McVol | 189.260 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Tboil | 666.12 | K | Joback Calculated Property |
| Tc | 873.37 | K | Joback Calculated Property |
| Tfus | 313.65 | K | Aq. Sol... |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.75; 575.03] | J/mol×K | [666.12; 873.37] | 
|
| Cp,gas | 500.75 | J/mol×K | 666.12 | Joback Calculated Property |
| Cp,gas | 515.40 | J/mol×K | 700.66 | Joback Calculated Property |
| Cp,gas | 529.09 | J/mol×K | 735.20 | Joback Calculated Property |
| Cp,gas | 541.87 | J/mol×K | 769.74 | Joback Calculated Property |
| Cp,gas | 553.76 | J/mol×K | 804.28 | Joback Calculated Property |
| Cp,gas | 564.81 | J/mol×K | 838.83 | Joback Calculated Property |
| Cp,gas | 575.03 | J/mol×K | 873.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4-dimethylamino-4-oxobutyl) benzoate.
Sources
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