- InChI
- InChI=1S/C32H62O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-27-35-31(33)24-18-17-19-25-32(34)36-28-26-30(4)23-21-22-29(2)3/h29-30H,5-28H2,1-4H3
- InChI Key
- UIVABDXXDHNJBQ-UHFFFAOYSA-N
- Formula
- C32H62O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCCC(=O
)OCCC(C)CCCC(C)C - Molecular Weight1
- 510.83
- 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 | 1.3859 | Relay (1.0) Calculated Property | |
| ΔfG° | -407.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1332.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.967 | Crippen Calculated Property | |
| McVol | 476.620 | ml/mol | McGowan Calculated Property |
| Pc | 550.00 | kPa | Joback Calculated Property |
| Inp | [3458.00; 3458.00] |
|
|
| Inp | 3458.00 | NIST | |
| Inp | 3458.00 | NIST | |
| Tboil | 692.54 | K | Relay (1.0) Calculated Property |
| Tc | 862.23 | K | Relay (1.0) Calculated Property |
| Tfus | 283.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.821 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.37; 1687.53] | 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 | 2.12540e+01 | |||
| Coefficient B | 2.94608e+00 | |||
| Coefficient C | -1.53420e-03 | |||
| Coefficient D | 2.54400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 716.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 882.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1032.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1166.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1286.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1391.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1483.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1562.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1630.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1687.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003699; 0.0000086] | Pa×s | [505.06; 925.29] |
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 | -1.61759e+01 | |||
| Coefficient B | 4.17864e+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. | 505.06 | |||
| Temperature range, max. | 925.29 | |||
| η | 0.0003699 | Pa×s | 505.06 | Calculated Property |
| η | 0.0001836 | Pa×s | 551.75 | Calculated Property |
| η | 0.0001017 | Pa×s | 598.45 | Calculated Property |
| η | 0.0000614 | Pa×s | 645.14 | Calculated Property |
| η | 0.0000396 | Pa×s | 691.83 | Calculated Property |
| η | 0.0000270 | Pa×s | 738.52 | Calculated Property |
| η | 0.0000193 | Pa×s | 785.22 | Calculated Property |
| η | 0.0000143 | Pa×s | 831.91 | Calculated Property |
| η | 0.0000110 | Pa×s | 878.60 | Calculated Property |
| η | 0.0000086 | Pa×s | 925.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl pentadecyl ester.
Sources
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