- InChI
- InChI=1S/C20H22O2/c21-20(15-10-16-6-4-5-7-16)22-19-13-11-18(12-14-19)17-8-2-1-3-9-17/h1-3,8-9,11-14,16H,4-7,10,15H2
- InChI Key
- GKUMHCCEVFDSME-UHFFFAOYSA-N
- Formula
- C20H22O2
- SMILES
-
O=C(CCC1CCCC1)Oc1ccc(-c2ccccc2
)cc1 - Molecular Weight1
- 294.39
- 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° | 135.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.74 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 5.229 | Crippen Calculated Property | |
| McVol | 241.720 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | [2640.00; 2640.00] |
|
|
| Inp | 2640.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Tboil | 806.91 | K | Joback Calculated Property |
| Tc | 1050.71 | K | Joback Calculated Property |
| Tfus | 463.58 | K | Joback Calculated Property |
| Vc | 0.904 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.80; 816.07] | J/mol×K | [806.91; 1050.71] |
|
| Cp,gas | 728.80 | J/mol×K | 806.91 | Joback Calculated Property |
| Cp,gas | 746.97 | J/mol×K | 847.54 | Joback Calculated Property |
| Cp,gas | 763.56 | J/mol×K | 888.18 | Joback Calculated Property |
| Cp,gas | 778.68 | J/mol×K | 928.81 | Joback Calculated Property |
| Cp,gas | 792.41 | J/mol×K | 969.44 | Joback Calculated Property |
| Cp,gas | 804.84 | J/mol×K | 1010.08 | Joback Calculated Property |
| Cp,gas | 816.07 | J/mol×K | 1050.71 | Joback Calculated Property |
| η | [0.0001128; 0.0011068] | Pa×s | [463.58; 806.91] |
|
| η | 0.0011068 | Pa×s | 463.58 | Joback Calculated Property |
| η | 0.0006137 | Pa×s | 520.80 | Joback Calculated Property |
| η | 0.0003824 | Pa×s | 578.02 | Joback Calculated Property |
| η | 0.0002595 | Pa×s | 635.25 | Joback Calculated Property |
| η | 0.0001877 | Pa×s | 692.47 | Joback Calculated Property |
| η | 0.0001427 | Pa×s | 749.69 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 806.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 4-biphenyl ester.
Sources
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