- InChI
- InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-19-23(16-4-2)26-24(25)21-20-22-17-14-15-18-22/h22-23H,3-21H2,1-2H3
- InChI Key
- FGINXVXCCLZXPY-UHFFFAOYSA-N
- Formula
- C24H46O2
- SMILES
-
CCCCCCCCCCCCC(CCC)OC(=O)CCC1CC
CC1 - Molecular Weight1
- 366.63
- 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 | 0.9779 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -837.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.980 | Crippen Calculated Property | |
| McVol | 345.600 | ml/mol | McGowan Calculated Property |
| Pc | 902.34 | kPa | Joback Calculated Property |
| Inp | [2473.50; 2473.50] |
|
|
| Inp | 2473.50 | NIST | |
| Inp | 2473.50 | NIST | |
| Tboil | 639.37 | K | Relay (1.0) Calculated Property |
| Tc | 838.09 | K | Relay (1.0) Calculated Property |
| Tfus | 256.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.304 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.41; 1249.45] | 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 | -5.56850e+01 | |||
| Coefficient B | 2.36664e+00 | |||
| Coefficient C | -1.31780e-03 | |||
| Coefficient D | 2.56300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 497.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 627.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 744.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 849.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 941.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1021.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1092.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1153.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1205.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1249.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021529; 0.0000891] | Pa×s | [398.47; 706.80] |
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 | -1.34406e+01 | |||
| Coefficient B | 2.90872e+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. | 398.47 | |||
| Temperature range, max. | 706.80 | |||
| η | 0.0021529 | Pa×s | 398.47 | Calculated Property |
| η | 0.0012079 | Pa×s | 432.73 | Calculated Property |
| η | 0.0007377 | Pa×s | 466.99 | Calculated Property |
| η | 0.0004820 | Pa×s | 501.25 | Calculated Property |
| η | 0.0003325 | Pa×s | 535.50 | Calculated Property |
| η | 0.0002399 | Pa×s | 569.76 | Calculated Property |
| η | 0.0001796 | Pa×s | 604.02 | Calculated Property |
| η | 0.0001387 | Pa×s | 638.28 | Calculated Property |
| η | 0.0001099 | Pa×s | 672.54 | Calculated Property |
| η | 0.0000891 | Pa×s | 706.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 4-hexadecyl ester.
Sources
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