- InChI
- InChI=1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)
- InChI Key
- BCJIDGDYYYBNNB-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- O=C(O)C(c1ccccc1)C1CCCC1
- Molecular Weight1
- 204.26
- CAS
- 3900-93-4
- Other Names
-
- «alpha»-Phenylcyclopentaneacetic acid
- Cyclopentylphenylacetic acid
- «alpha»-Cyclopentylphenylacetic acid
- Acetic acid, cyclopentylphenyl-
- Acetic acid, cyclopentyphenyl-
- Cyclopentaneacetic acid, «alpha»-phenyl-
- 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° | -60.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 3.045 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| Tboil | 684.41 | K | Joback Calculated Property |
| Tc | 905.25 | K | Joback Calculated Property |
| Tfus | 369.34 | K | Joback Calculated Property |
| Vc | 0.616 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.32; 540.30] | J/mol×K | [684.41; 905.25] | 
|
| Cp,gas | 465.32 | J/mol×K | 684.41 | Joback Calculated Property |
| Cp,gas | 480.35 | J/mol×K | 721.22 | Joback Calculated Property |
| Cp,gas | 494.29 | J/mol×K | 758.02 | Joback Calculated Property |
| Cp,gas | 507.19 | J/mol×K | 794.83 | Joback Calculated Property |
| Cp,gas | 519.11 | J/mol×K | 831.64 | Joback Calculated Property |
| Cp,gas | 530.13 | J/mol×K | 868.44 | Joback Calculated Property |
| Cp,gas | 540.30 | J/mol×K | 905.25 | Joback Calculated Property |
| η | [0.0000710; 0.0054467] | Pa×s | [369.34; 684.41] |
|
| η | 0.0054467 | Pa×s | 369.34 | Joback Calculated Property |
| η | 0.0016843 | Pa×s | 421.85 | Joback Calculated Property |
| η | 0.0006754 | Pa×s | 474.36 | Joback Calculated Property |
| η | 0.0003249 | Pa×s | 526.88 | Joback Calculated Property |
| η | 0.0001785 | Pa×s | 579.39 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 631.90 | Joback Calculated Property |
| η | 0.0000710 | Pa×s | 684.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, «alpha»-cyclopentyl-.
Sources
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