- InChI
- InChI=1S/C12H14O2/c1-9-5-2-3-8-11(9)12(13)14-10-6-4-7-10/h2-3,5,8,10H,4,6-7H2,1H3
- InChI Key
- DBFKZOIUYMDLIP-UHFFFAOYSA-N
- Formula
- C12H14O2
- SMILES
- Cc1ccccc1C(=O)OC1CCC1
- Molecular Weight1
- 190.24
- Other Names
-
- o-toluylic acid, cyclobutyl 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.
- 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° | -32.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 2.704 | Crippen Calculated Property | |
| McVol | 152.760 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | 1501.20 | NIST | |
| Tboil | 592.92 | K | Joback Calculated Property |
| Tc | 822.69 | K | Joback Calculated Property |
| Tfus | 350.52 | K | Joback Calculated Property |
| Vc | 0.573 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.39; 463.63] | J/mol×K | [592.92; 822.69] | 
|
| Cp,gas | 380.39 | J/mol×K | 592.92 | Joback Calculated Property |
| Cp,gas | 396.87 | J/mol×K | 631.22 | Joback Calculated Property |
| Cp,gas | 412.25 | J/mol×K | 669.51 | Joback Calculated Property |
| Cp,gas | 426.56 | J/mol×K | 707.81 | Joback Calculated Property |
| Cp,gas | 439.87 | J/mol×K | 746.10 | Joback Calculated Property |
| Cp,gas | 452.21 | J/mol×K | 784.40 | Joback Calculated Property |
| Cp,gas | 463.63 | J/mol×K | 822.69 | Joback Calculated Property |
| η | [0.0003270; 0.0018554] | Pa×s | [350.52; 592.92] |
|
| η | 0.0018554 | Pa×s | 350.52 | Joback Calculated Property |
| η | 0.0011964 | Pa×s | 390.92 | Joback Calculated Property |
| η | 0.0008375 | Pa×s | 431.32 | Joback Calculated Property |
| η | 0.0006232 | Pa×s | 471.72 | Joback Calculated Property |
| η | 0.0004859 | Pa×s | 512.12 | Joback Calculated Property |
| η | 0.0003929 | Pa×s | 552.52 | Joback Calculated Property |
| η | 0.0003270 | Pa×s | 592.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, cyclobutyl ester.
Sources
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