- InChI
- InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-25-23(24)20-19-22-17-14-15-18-22/h22H,2-21H2,1H3
- InChI Key
- NGRWBWMGWJUELO-UHFFFAOYSA-N
- Formula
- C23H44O2
- SMILES
- CCCCCCCCCCCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 352.60
- 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 | 0.9888 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.591 | Crippen Calculated Property | |
| McVol | 331.510 | ml/mol | McGowan Calculated Property |
| Pc | 976.56 | kPa | Joback Calculated Property |
| Inp | [2532.70; 2532.70] |
|
|
| Inp | 2532.70 | NIST | |
| Inp | 2532.70 | NIST | |
| Tboil | 639.17 | K | Relay (1.0) Calculated Property |
| Tc | 836.18 | K | Relay (1.0) Calculated Property |
| Tfus | 281.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.261 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1088.00; 1199.08] | J/mol×K | [817.21; 1004.78] |
|
| Cp,gas | 1088.00 | J/mol×K | 817.21 | Joback Calculated Property |
| Cp,gas | 1109.39 | J/mol×K | 848.47 | Joback Calculated Property |
| Cp,gas | 1129.57 | J/mol×K | 879.73 | Joback Calculated Property |
| Cp,gas | 1148.59 | J/mol×K | 910.99 | Joback Calculated Property |
| Cp,gas | 1166.48 | J/mol×K | 942.25 | Joback Calculated Property |
| Cp,gas | 1183.30 | J/mol×K | 973.52 | Joback Calculated Property |
| Cp,gas | 1199.08 | J/mol×K | 1004.78 | Joback Calculated Property |
| η | [0.0000716; 0.0014458] | Pa×s | [432.03; 817.21] |
|
| η | 0.0014458 | Pa×s | 432.03 | Joback Calculated Property |
| η | 0.0006336 | Pa×s | 496.23 | Joback Calculated Property |
| η | 0.0003354 | Pa×s | 560.42 | Joback Calculated Property |
| η | 0.0002024 | Pa×s | 624.62 | Joback Calculated Property |
| η | 0.0001341 | Pa×s | 688.82 | Joback Calculated Property |
| η | 0.0000954 | Pa×s | 753.01 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 817.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, pentadecyl ester.
Sources
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