- InChI
- InChI=1S/C16H22O2/c1-12-9-13(2)11-15(10-12)18-16(17)8-7-14-5-3-4-6-14/h9-11,14H,3-8H2,1-2H3
- InChI Key
- OKDQBRBJEFQPGL-UHFFFAOYSA-N
- Formula
- C16H22O2
- SMILES
- Cc1cc(C)cc(OC(=O)CCC2CCCC2)c1
- Molecular Weight1
- 246.34
- 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° | -20.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 4.179 | Crippen Calculated Property | |
| McVol | 209.120 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | 1902.00 | NIST | |
| Tboil | 693.69 | K | Joback Calculated Property |
| Tc | 914.87 | K | Joback Calculated Property |
| Tfus | 404.60 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.10; 684.94] | J/mol×K | [693.69; 914.87] | 
|
| Cp,gas | 590.10 | J/mol×K | 693.69 | Joback Calculated Property |
| Cp,gas | 608.87 | J/mol×K | 730.55 | Joback Calculated Property |
| Cp,gas | 626.40 | J/mol×K | 767.42 | Joback Calculated Property |
| Cp,gas | 642.74 | J/mol×K | 804.28 | Joback Calculated Property |
| Cp,gas | 657.91 | J/mol×K | 841.14 | Joback Calculated Property |
| Cp,gas | 671.97 | J/mol×K | 878.00 | Joback Calculated Property |
| Cp,gas | 684.94 | J/mol×K | 914.87 | Joback Calculated Property |
| η | [0.0001741; 0.0014044] | Pa×s | [404.60; 693.69] |
|
| η | 0.0014044 | Pa×s | 404.60 | Joback Calculated Property |
| η | 0.0008240 | Pa×s | 452.78 | Joback Calculated Property |
| η | 0.0005357 | Pa×s | 500.96 | Joback Calculated Property |
| η | 0.0003756 | Pa×s | 549.14 | Joback Calculated Property |
| η | 0.0002789 | Pa×s | 597.33 | Joback Calculated Property |
| η | 0.0002165 | Pa×s | 645.51 | Joback Calculated Property |
| η | 0.0001741 | Pa×s | 693.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 3,5-dimethylphenyl ester.
Sources
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