- InChI
- InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
- InChI Key
- WFLUEQCOAQCQLP-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
- O=C(O)C(O)(c1ccccc1)C1CCCC1
- Molecular Weight1
- 220.26
- CAS
- 427-49-6
- Other Names
-
- cyclopentylphenylglycolic acid
- 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° | -192.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.149 | Crippen Calculated Property | |
| McVol | 172.720 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 773.80 | K | Joback Calculated Property |
| Tc | 987.44 | K | Joback Calculated Property |
| Tfus | 447.58 | K | Joback Calculated Property |
| Vc | 0.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.46; 579.84] | J/mol×K | [773.80; 987.44] | 
|
| Cp,gas | 520.46 | J/mol×K | 773.80 | Joback Calculated Property |
| Cp,gas | 532.31 | J/mol×K | 809.41 | Joback Calculated Property |
| Cp,gas | 543.27 | J/mol×K | 845.01 | Joback Calculated Property |
| Cp,gas | 553.42 | J/mol×K | 880.62 | Joback Calculated Property |
| Cp,gas | 562.85 | J/mol×K | 916.22 | Joback Calculated Property |
| Cp,gas | 571.63 | J/mol×K | 951.83 | Joback Calculated Property |
| Cp,gas | 579.84 | J/mol×K | 987.44 | Joback Calculated Property |
| η | [0.0000099; 0.0016162] | Pa×s | [447.58; 773.80] |
|
| η | 0.0016162 | Pa×s | 447.58 | Joback Calculated Property |
| η | 0.0004370 | Pa×s | 501.95 | Joback Calculated Property |
| η | 0.0001526 | Pa×s | 556.32 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 610.69 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 665.06 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 719.43 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 773.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mandelic acid, alpha-cyclopentyl.
Sources
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