- InChI
- InChI=1S/C14H21NO2/c1-11(2)9-10-17-14(16)12-5-7-13(8-6-12)15(3)4/h5-8,11H,9-10H2,1-4H3
- InChI Key
- OFSAUHSCHWRZKM-UHFFFAOYSA-N
- Formula
- C14H21NO2
- SMILES
- CC(C)CCOC(=O)c1ccc(N(C)C)cc1
- Molecular Weight1
- 235.32
- CAS
- 21245-01-2
- Other Names
-
- padimate
- 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° | 44.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.955 | Crippen Calculated Property | |
| McVol | 201.780 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Tboil | 639.67 | K | Joback Calculated Property |
| Tc | 841.91 | K | Joback Calculated Property |
| Tfus | 376.11 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.69; 619.34] | J/mol×K | [639.67; 841.91] | 
|
| Cp,gas | 532.69 | J/mol×K | 639.67 | Joback Calculated Property |
| Cp,gas | 549.46 | J/mol×K | 673.38 | Joback Calculated Property |
| Cp,gas | 565.26 | J/mol×K | 707.08 | Joback Calculated Property |
| Cp,gas | 580.12 | J/mol×K | 740.79 | Joback Calculated Property |
| Cp,gas | 594.06 | J/mol×K | 774.50 | Joback Calculated Property |
| Cp,gas | 607.13 | J/mol×K | 808.21 | Joback Calculated Property |
| Cp,gas | 619.34 | J/mol×K | 841.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, p-(dimethylamino-), isopentyl ester.
Sources
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