- 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° | -131.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.63 | 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 | 952.01 | 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 | [1077.87; 1189.42] | J/mol×K | [799.34; 983.82] |
|
| Cp,gas | 1077.87 | J/mol×K | 799.34 | Joback Calculated Property |
| Cp,gas | 1099.39 | J/mol×K | 830.09 | Joback Calculated Property |
| Cp,gas | 1119.68 | J/mol×K | 860.83 | Joback Calculated Property |
| Cp,gas | 1138.79 | J/mol×K | 891.58 | Joback Calculated Property |
| Cp,gas | 1156.75 | J/mol×K | 922.32 | Joback Calculated Property |
| Cp,gas | 1173.62 | J/mol×K | 953.07 | Joback Calculated Property |
| Cp,gas | 1189.42 | J/mol×K | 983.82 | Joback Calculated Property |
| η | [0.0000630; 0.0019444] | Pa×s | [402.20; 799.34] |
|
| η | 0.0019444 | Pa×s | 402.20 | Joback Calculated Property |
| η | 0.0007330 | Pa×s | 468.39 | Joback Calculated Property |
| η | 0.0003518 | Pa×s | 534.58 | Joback Calculated Property |
| η | 0.0001985 | Pa×s | 600.77 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 666.96 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 733.15 | Joback Calculated Property |
| η | 0.0000630 | Pa×s | 799.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, pentadecyl ester.
Sources
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