- InChI
- InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-15-22-30-26(28)19-13-12-14-20-27(29)31-23-21-25(4)18-16-17-24(2)3/h24-25H,5-23H2,1-4H3
- InChI Key
- SEAPUWZQGOBPEN-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)OCCC
(C)CCCC(C)C - Molecular Weight1
- 440.71
- 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 | 1.2105 | Relay (1.0) Calculated Property | |
| ΔfG° | -449.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1232.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.017 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 698.39 | kPa | Joback Calculated Property |
| Inp | [2887.00; 2887.00] |
|
|
| Inp | 2887.00 | NIST | |
| Inp | 2887.00 | NIST | |
| Tboil | 659.92 | K | Relay (1.0) Calculated Property |
| Tc | 830.04 | K | Relay (1.0) Calculated Property |
| Tfus | 266.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.546 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.30; 1429.58] | 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 | 2.57990e+01 | |||
| Coefficient B | 2.47108e+00 | |||
| Coefficient C | -1.26220e-03 | |||
| Coefficient D | 1.94900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 610.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 750.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 877.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 990.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1091.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1180.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1258.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1325.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1382.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1429.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008543; 0.0000223] | Pa×s | [448.71; 803.29] |
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 | -1.53286e+01 | |||
| Coefficient B | 3.70784e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 448.71 | |||
| Temperature range, max. | 803.29 | |||
| η | 0.0008543 | Pa×s | 448.71 | Calculated Property |
| η | 0.0004385 | Pa×s | 488.11 | Calculated Property |
| η | 0.0002486 | Pa×s | 527.51 | Calculated Property |
| η | 0.0001525 | Pa×s | 566.90 | Calculated Property |
| η | 0.0000997 | Pa×s | 606.30 | Calculated Property |
| η | 0.0000687 | Pa×s | 645.70 | Calculated Property |
| η | 0.0000494 | Pa×s | 685.10 | Calculated Property |
| η | 0.0000368 | Pa×s | 724.49 | Calculated Property |
| η | 0.0000282 | Pa×s | 763.89 | Calculated Property |
| η | 0.0000223 | Pa×s | 803.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl 3,7-dimethyloctyl ester.
Sources
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