- InChI
- InChI=1S/C20H30O4/c1-2-3-16-23-19(21)14-8-5-9-15-20(22)24-17-10-13-18-11-6-4-7-12-18/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3
- InChI Key
- RAWSNMXVOPHMOK-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCOC(=O)CCCCCC(=O)OCCCc1cccc
c1 - Molecular Weight1
- 334.46
- 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 | 0.9677 | Relay (1.0) Calculated Property | |
| ΔfG° | -390.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.456 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1278.25 | kPa | Joback Calculated Property |
| Inp | [2539.00; 2539.00] |
|
|
| Inp | 2539.00 | NIST | |
| Inp | 2539.00 | NIST | |
| Tboil | 645.16 | K | Relay (1.0) Calculated Property |
| Tc | 828.84 | K | Relay (1.0) Calculated Property |
| Tfus | 270.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.073 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.18; 948.84] | 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 | 1.62100e+00 | |||
| Coefficient B | 1.71532e+00 | |||
| Coefficient C | -9.06200e-04 | |||
| Coefficient D | 1.38100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 405.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 501.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 587.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 663.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 731.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 790.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 841.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 884.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 919.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 948.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011432; 0.0000743] | Pa×s | [426.24; 696.00] |
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 | -1.38275e+01 | |||
| Coefficient B | 3.00650e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 426.24 | |||
| Temperature range, max. | 696.00 | |||
| η | 0.0011432 | Pa×s | 426.24 | Calculated Property |
| η | 0.0007192 | Pa×s | 456.21 | Calculated Property |
| η | 0.0004791 | Pa×s | 486.19 | Calculated Property |
| η | 0.0003345 | Pa×s | 516.16 | Calculated Property |
| η | 0.0002430 | Pa×s | 546.13 | Calculated Property |
| η | 0.0001825 | Pa×s | 576.10 | Calculated Property |
| η | 0.0001410 | Pa×s | 606.08 | Calculated Property |
| η | 0.0001116 | Pa×s | 636.05 | Calculated Property |
| η | 0.0000902 | Pa×s | 666.02 | Calculated Property |
| η | 0.0000743 | Pa×s | 696.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, butyl 3-phenylpropyl ester.
Sources
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