- InChI
- InChI=1S/C13H16O2/c1-9-6-10(2)8-12(7-9)15-13(14)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3
- InChI Key
- SURSLDJUSQACFX-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- Cc1cc(C)cc(OC(=O)C2CCC2)c1
- Molecular Weight1
- 204.26
- 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° | -33.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.009 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Inp | 1579.00 | NIST | |
| Tboil | 620.78 | K | Joback Calculated Property |
| Tc | 847.11 | K | Joback Calculated Property |
| Tfus | 374.31 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.69; 515.11] | J/mol×K | [620.78; 847.11] | 
|
| Cp,gas | 429.69 | J/mol×K | 620.78 | Joback Calculated Property |
| Cp,gas | 446.49 | J/mol×K | 658.50 | Joback Calculated Property |
| Cp,gas | 462.20 | J/mol×K | 696.22 | Joback Calculated Property |
| Cp,gas | 476.88 | J/mol×K | 733.94 | Joback Calculated Property |
| Cp,gas | 490.56 | J/mol×K | 771.67 | Joback Calculated Property |
| Cp,gas | 503.29 | J/mol×K | 809.39 | Joback Calculated Property |
| Cp,gas | 515.11 | J/mol×K | 847.11 | Joback Calculated Property |
| η | [0.0003026; 0.0015357] | Pa×s | [374.31; 620.78] |
|
| η | 0.0015357 | Pa×s | 374.31 | Joback Calculated Property |
| η | 0.0010248 | Pa×s | 415.39 | Joback Calculated Property |
| η | 0.0007354 | Pa×s | 456.47 | Joback Calculated Property |
| η | 0.0005575 | Pa×s | 497.54 | Joback Calculated Property |
| η | 0.0004409 | Pa×s | 538.62 | Joback Calculated Property |
| η | 0.0003605 | Pa×s | 579.70 | Joback Calculated Property |
| η | 0.0003026 | Pa×s | 620.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, 3,5-dimethylphenyl ester.
Sources
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