- InChI
- InChI=1S/C12H16O2/c1-9(2)10(3)14-12(13)11-7-5-4-6-8-11/h4-10H,1-3H3
- InChI Key
- LTUYGFZKXSBLDW-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CC(C)C(C)OC(=O)c1ccccc1
- Molecular Weight1
- 192.25
- Other Names
-
- 1,2-dimethylpropyl benzoate
- Benzoic acid, 3-methylbut-2-yl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : 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° | -76.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.888 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Inp | [1356.00; 1399.00] |
|
|
| Inp | 1356.00 | NIST | |
| Inp | 1399.00 | NIST | |
| I | 1801.00 | NIST | |
| Tboil | 576.05 | K | Joback Calculated Property |
| Tc | 790.82 | K | Joback Calculated Property |
| Tfus | 293.58 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.78; 476.83] | J/mol×K | [576.05; 790.82] |
|
| Cp,gas | 394.78 | J/mol×K | 576.05 | Joback Calculated Property |
| Cp,gas | 410.72 | J/mol×K | 611.85 | Joback Calculated Property |
| Cp,gas | 425.72 | J/mol×K | 647.64 | Joback Calculated Property |
| Cp,gas | 439.81 | J/mol×K | 683.44 | Joback Calculated Property |
| Cp,gas | 453.01 | J/mol×K | 719.23 | Joback Calculated Property |
| Cp,gas | 465.34 | J/mol×K | 755.03 | Joback Calculated Property |
| Cp,gas | 476.83 | J/mol×K | 790.82 | Joback Calculated Property |
| η | [0.0001615; 0.0039738] | Pa×s | [293.58; 576.05] |
|
| η | 0.0039738 | Pa×s | 293.58 | Joback Calculated Property |
| η | 0.0016112 | Pa×s | 340.66 | Joback Calculated Property |
| η | 0.0008134 | Pa×s | 387.74 | Joback Calculated Property |
| η | 0.0004761 | Pa×s | 434.81 | Joback Calculated Property |
| η | 0.0003095 | Pa×s | 481.89 | Joback Calculated Property |
| η | 0.0002172 | Pa×s | 528.97 | Joback Calculated Property |
| η | 0.0001615 | Pa×s | 576.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 1,2-dimethylpropyl ester.
Sources
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