- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.51; 1197.33] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.30940e+01 | |||
| Coefficient B | 2.26572e+00 | |||
| Coefficient C | -1.26020e-03 | |||
| Coefficient D | 2.44900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 476.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 601.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 713.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 813.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 901.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 979.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1046.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1105.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1154.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1197.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019444; 0.0001100] | Pa×s | [402.20; 688.67] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31467e+01 | |||
| Coefficient B | 2.77674e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 402.20 | |||
| Temperature range, max. | 688.67 | |||
| η | 0.0019444 | Pa×s | 402.20 | Calculated Property |
| η | 0.0011720 | Pa×s | 434.03 | Calculated Property |
| η | 0.0007570 | Pa×s | 465.86 | Calculated Property |
| η | 0.0005170 | Pa×s | 497.69 | Calculated Property |
| η | 0.0003697 | Pa×s | 529.52 | Calculated Property |
| η | 0.0002746 | Pa×s | 561.35 | Calculated Property |
| η | 0.0002106 | Pa×s | 593.18 | Calculated Property |
| η | 0.0001659 | Pa×s | 625.01 | Calculated Property |
| η | 0.0001338 | Pa×s | 656.84 | Calculated Property |
| η | 0.0001100 | Pa×s | 688.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, pentadecyl ester.
Sources
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