- InChI
- InChI=1S/C12H16O3/c1-4-9(2)15-11-8-6-5-7-10(11)12(13)14-3/h5-9H,4H2,1-3H3
- InChI Key
- FAUHCYPHSNNHPL-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- CCC(C)Oc1ccccc1C(=O)OC
- Molecular Weight1
- 208.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6019 | Relay (1.0) Calculated Property | |
| ΔfG° | -188.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.651 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2458.04 | kPa | Joback Calculated Property |
| Inp | 1496.00 | NIST | |
| Tboil | 538.46 | K | Relay (1.0) Calculated Property |
| Tc | 735.14 | K | Relay (1.0) Calculated Property |
| Tfus | 265.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.73; 497.67] | J/mol×K | [603.89; 812.91] | 
|
| Cp,gas | 419.73 | J/mol×K | 603.89 | Joback Calculated Property |
| Cp,gas | 434.72 | J/mol×K | 638.73 | Joback Calculated Property |
| Cp,gas | 448.90 | J/mol×K | 673.56 | Joback Calculated Property |
| Cp,gas | 462.28 | J/mol×K | 708.40 | Joback Calculated Property |
| Cp,gas | 474.87 | J/mol×K | 743.24 | Joback Calculated Property |
| Cp,gas | 486.66 | J/mol×K | 778.07 | Joback Calculated Property |
| Cp,gas | 497.67 | J/mol×K | 812.91 | Joback Calculated Property |
| η | [0.0001353; 0.0015703] | Pa×s | [343.33; 603.89] |
|
| η | 0.0015703 | Pa×s | 343.33 | Joback Calculated Property |
| η | 0.0008297 | Pa×s | 386.76 | Joback Calculated Property |
| η | 0.0004986 | Pa×s | 430.18 | Joback Calculated Property |
| η | 0.0003290 | Pa×s | 473.61 | Joback Calculated Property |
| η | 0.0002328 | Pa×s | 517.04 | Joback Calculated Property |
| η | 0.0001738 | Pa×s | 560.46 | Joback Calculated Property |
| η | 0.0001353 | Pa×s | 603.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(1-methylpropyl)oxy-, methyl ester.
Sources
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