- InChI
- InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-14-19-23-21(22)18-17-20-15-12-13-16-20/h20H,2-19H2,1H3
- InChI Key
- GQDYEEAXSXIUTM-UHFFFAOYSA-N
- Formula
- C21H40O2
- SMILES
- CCCCCCCCCCCCCOC(=O)CCC1CCCC1
- Molecular Weight1
- 324.54
- 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 | 0.9185 | Relay (1.0) Calculated Property | |
| ΔfG° | -147.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -757.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.811 | Crippen Calculated Property | |
| McVol | 303.330 | ml/mol | McGowan Calculated Property |
| Pc | 1075.69 | kPa | Joback Calculated Property |
| Inp | [2351.10; 2351.10] |
|
|
| Inp | 2351.10 | NIST | |
| Inp | 2351.10 | NIST | |
| Tboil | 625.96 | K | Relay (1.0) Calculated Property |
| Tc | 821.22 | K | Relay (1.0) Calculated Property |
| Tfus | 271.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.150 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.08; 1094.14] | 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 | -5.12760e+01 | |||
| Coefficient B | 2.07572e+00 | |||
| Coefficient C | -1.15140e-03 | |||
| Coefficient D | 2.21100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 434.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 548.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 651.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 742.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 823.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 894.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 956.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1010.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1055.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1094.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024447; 0.0001397] | Pa×s | [379.66; 654.40] |
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 | -1.28316e+01 | |||
| Coefficient B | 2.58842e+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. | 379.66 | |||
| Temperature range, max. | 654.40 | |||
| η | 0.0024447 | Pa×s | 379.66 | Calculated Property |
| η | 0.0014719 | Pa×s | 410.19 | Calculated Property |
| η | 0.0009507 | Pa×s | 440.71 | Calculated Property |
| η | 0.0006498 | Pa×s | 471.24 | Calculated Property |
| η | 0.0004652 | Pa×s | 501.77 | Calculated Property |
| η | 0.0003461 | Pa×s | 532.29 | Calculated Property |
| η | 0.0002659 | Pa×s | 562.82 | Calculated Property |
| η | 0.0002098 | Pa×s | 593.34 | Calculated Property |
| η | 0.0001695 | Pa×s | 623.87 | Calculated Property |
| η | 0.0001397 | Pa×s | 654.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, tridecyl ester.
Sources
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