- InChI
- InChI=1S/C16H22O2/c1-2-13-8-5-9-15(12-13)18-16(17)11-10-14-6-3-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3
- InChI Key
- UHLFJGFCIVLDBM-UHFFFAOYSA-N
- Formula
- C16H22O2
- SMILES
- CCc1cccc(OC(=O)CCC2CCCC2)c1
- Molecular Weight1
- 246.34
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6651 | Relay (... Calculated Property | |
| ΔfG° | -10.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -4.94 | Relay (... Calculated Property | |
| logPoct/wat | 4.125 | Crippen Calculated Property | |
| McVol | 209.120 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | 1978.00 | NIST | |
| Tboil | 601.27 | K | Relay (... Calculated Property |
| Tc | 821.85 | K | Relay (... Calculated Property |
| Tfus | 249.70 | K | Relay (... Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.47; 686.04] | J/mol×K | [688.71; 909.05] | 
|
| Cp,gas | 590.47 | J/mol×K | 688.71 | Joback Calculated Property |
| Cp,gas | 609.42 | J/mol×K | 725.43 | Joback Calculated Property |
| Cp,gas | 627.09 | J/mol×K | 762.16 | Joback Calculated Property |
| Cp,gas | 643.55 | J/mol×K | 798.88 | Joback Calculated Property |
| Cp,gas | 658.83 | J/mol×K | 835.61 | Joback Calculated Property |
| Cp,gas | 672.98 | J/mol×K | 872.33 | Joback Calculated Property |
| Cp,gas | 686.04 | J/mol×K | 909.05 | Joback Calculated Property |
| η | [0.0001743; 0.0017097] | Pa×s | [392.08; 688.71] |
|
| η | 0.0017097 | Pa×s | 392.08 | Joback Calculated Property |
| η | 0.0009444 | Pa×s | 441.52 | Joback Calculated Property |
| η | 0.0005879 | Pa×s | 490.96 | Joback Calculated Property |
| η | 0.0003991 | Pa×s | 540.39 | Joback Calculated Property |
| η | 0.0002891 | Pa×s | 589.83 | Joback Calculated Property |
| η | 0.0002202 | Pa×s | 639.27 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 688.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 3-ethylphenyl ester.
Sources
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