- InChI
- InChI=1S/C13H16O2/c1-10-5-4-8-12(9-10)15-13(14)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3
- InChI Key
- LVDMYKFYZQJRAB-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- Cc1cccc(OC(=O)C2CCCC2)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° | -36.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1584.00; 1584.00] |
|
|
| Inp | 1584.00 | NIST | |
| Inp | 1584.00 | NIST | |
| Tboil | 620.07 | K | Joback Calculated Property |
| Tc | 853.14 | K | Joback Calculated Property |
| Tfus | 358.27 | K | Joback Calculated Property |
| Vc | 0.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.75; 521.92] | J/mol×K | [620.07; 853.14] |
|
| Cp,gas | 431.75 | J/mol×K | 620.07 | Joback Calculated Property |
| Cp,gas | 449.72 | J/mol×K | 658.92 | Joback Calculated Property |
| Cp,gas | 466.46 | J/mol×K | 697.76 | Joback Calculated Property |
| Cp,gas | 482.00 | J/mol×K | 736.61 | Joback Calculated Property |
| Cp,gas | 496.40 | J/mol×K | 775.45 | Joback Calculated Property |
| Cp,gas | 509.69 | J/mol×K | 814.30 | Joback Calculated Property |
| Cp,gas | 521.92 | J/mol×K | 853.14 | Joback Calculated Property |
| η | [0.0002326; 0.0019305] | Pa×s | [358.27; 620.07] |
|
| η | 0.0019305 | Pa×s | 358.27 | Joback Calculated Property |
| η | 0.0011203 | Pa×s | 401.90 | Joback Calculated Property |
| η | 0.0007232 | Pa×s | 445.54 | Joback Calculated Property |
| η | 0.0005048 | Pa×s | 489.17 | Joback Calculated Property |
| η | 0.0003737 | Pa×s | 532.80 | Joback Calculated Property |
| η | 0.0002896 | Pa×s | 576.44 | Joback Calculated Property |
| η | 0.0002326 | Pa×s | 620.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid, 3-methylphenyl ester.
Sources
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