- InChI
- InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3
- InChI Key
- IURBCXATWNDAKW-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CC(C)COC(=O)c1cccc(N)c1
- Molecular Weight1
- 193.24
- 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° | -25.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.082 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Inp | 1701.00 | NIST | |
| Tboil | 631.12 | K | Joback Calculated Property |
| Tc | 853.74 | K | Joback Calculated Property |
| Tfus | 393.09 | K | Joback Calculated Property |
| Vc | 0.591 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.12; 477.80] | J/mol×K | [631.12; 853.74] | 
|
| Cp,gas | 406.12 | J/mol×K | 631.12 | Joback Calculated Property |
| Cp,gas | 420.21 | J/mol×K | 668.22 | Joback Calculated Property |
| Cp,gas | 433.41 | J/mol×K | 705.33 | Joback Calculated Property |
| Cp,gas | 445.76 | J/mol×K | 742.43 | Joback Calculated Property |
| Cp,gas | 457.25 | J/mol×K | 779.53 | Joback Calculated Property |
| Cp,gas | 467.93 | J/mol×K | 816.63 | Joback Calculated Property |
| Cp,gas | 477.80 | J/mol×K | 853.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-amino-, 2-methylpropyl ester.
Sources
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