- InChI
- InChI=1S/C17H24O2/c1-2-7-15-10-5-6-11-16(15)19-17(18)13-12-14-8-3-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3
- InChI Key
- CINQQQWJKMNWCB-UHFFFAOYSA-N
- Formula
- C17H24O2
- SMILES
- CCCc1ccccc1OC(=O)CCC1CCCC1
- Molecular Weight1
- 260.37
- 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 | 0.6998 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.515 | Crippen Calculated Property | |
| McVol | 223.210 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | 1998.00 | NIST | |
| Tboil | 610.90 | K | Relay (1.0) Calculated Property |
| Tc | 827.91 | K | Relay (1.0) Calculated Property |
| Tfus | 261.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.86; 742.44] | J/mol×K | [711.59; 928.42] | 
|
| Cp,gas | 645.86 | J/mol×K | 711.59 | Joback Calculated Property |
| Cp,gas | 664.98 | J/mol×K | 747.73 | Joback Calculated Property |
| Cp,gas | 682.83 | J/mol×K | 783.87 | Joback Calculated Property |
| Cp,gas | 699.45 | J/mol×K | 820.01 | Joback Calculated Property |
| Cp,gas | 714.89 | J/mol×K | 856.14 | Joback Calculated Property |
| Cp,gas | 729.21 | J/mol×K | 892.28 | Joback Calculated Property |
| Cp,gas | 742.44 | J/mol×K | 928.42 | Joback Calculated Property |
| η | [0.0001564; 0.0016129] | Pa×s | [403.35; 711.59] |
|
| η | 0.0016129 | Pa×s | 403.35 | Joback Calculated Property |
| η | 0.0008777 | Pa×s | 454.72 | Joback Calculated Property |
| η | 0.0005404 | Pa×s | 506.10 | Joback Calculated Property |
| η | 0.0003638 | Pa×s | 557.47 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 608.84 | Joback Calculated Property |
| η | 0.0001984 | Pa×s | 660.22 | Joback Calculated Property |
| η | 0.0001564 | Pa×s | 711.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 2-propylphenyl ester.
Sources
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