- InChI
- InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3
- InChI Key
- FGMUSNHTKNGVQD-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- COC(=O)C(O)(c1ccccc1)C1CCCC1
- Molecular Weight1
- 234.29
- CAS
- 19833-96-6
- Other Names
-
- Cyclopentyl(hydroxy)phenylacetic acid, methyl ester
- Methyl cyclopentyl(hydroxy)phenylacetate
- «alpha»-Cyclopentylmandelic acid, methyl ester
- Mandelic acid, a-cyclopentyl-, methyl ester
- Methyl cyclopentylphenylglycolate
- Alpha-cyclopentylmandelic acid, methyl 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).
- 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° | -151.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 2.237 | Crippen Calculated Property | |
| McVol | 186.810 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Tboil | 726.92 | K | Joback Calculated Property |
| Tc | 948.92 | K | Joback Calculated Property |
| Tfus | 420.26 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.82; 621.48] | J/mol×K | [726.92; 948.92] | 
|
| Cp,gas | 546.82 | J/mol×K | 726.92 | Joback Calculated Property |
| Cp,gas | 561.91 | J/mol×K | 763.92 | Joback Calculated Property |
| Cp,gas | 575.85 | J/mol×K | 800.92 | Joback Calculated Property |
| Cp,gas | 588.71 | J/mol×K | 837.92 | Joback Calculated Property |
| Cp,gas | 600.55 | J/mol×K | 874.92 | Joback Calculated Property |
| Cp,gas | 611.44 | J/mol×K | 911.92 | Joback Calculated Property |
| Cp,gas | 621.48 | J/mol×K | 948.92 | Joback Calculated Property |
| η | [0.0000402; 0.0020171] | Pa×s | [420.26; 726.92] |
|
| η | 0.0020171 | Pa×s | 420.26 | Joback Calculated Property |
| η | 0.0007372 | Pa×s | 471.37 | Joback Calculated Property |
| η | 0.0003281 | Pa×s | 522.48 | Joback Calculated Property |
| η | 0.0001687 | Pa×s | 573.59 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 624.70 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 675.81 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 726.92 | Joback Calculated Property |
Similar Compounds
Sources
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