- InChI
- InChI=1S/C26H40O4/c1-2-3-4-5-6-7-13-20-29-25(27)23-18-11-12-19-24(23)26(28)30-21-14-17-22-15-9-8-10-16-22/h8-10,15-16,23-24H,2-7,11-14,17-21H2,1H3
- InChI Key
- KXABSGMJLXHOGX-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
CCCCCCCCCOC(=O)C1CCCCC1C(=O)OC
CCc1ccccc1 - Molecular Weight1
- 416.59
- 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 | 1.0231 | Relay (1.0) Calculated Property | |
| ΔfG° | -323.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.263 | Crippen Calculated Property | |
| McVol | 357.460 | ml/mol | McGowan Calculated Property |
| Pc | 975.95 | kPa | Joback Calculated Property |
| Inp | [3060.00; 3060.00] |
|
|
| Inp | 3060.00 | NIST | |
| Inp | 3060.00 | NIST | |
| Tboil | 695.52 | K | Relay (1.0) Calculated Property |
| Tc | 918.55 | K | Relay (1.0) Calculated Property |
| Tfus | 310.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.312 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.60; 1250.12] | 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 | -6.34990e+01 | |||
| Coefficient B | 2.38092e+00 | |||
| Coefficient C | -1.25820e-03 | |||
| Coefficient D | 1.90900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 496.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 629.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 749.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 855.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 949.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1030.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1101.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1160.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1210.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1250.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006361; 0.0000417] | Pa×s | [497.00; 818.26] |
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 | -1.42979e+01 | |||
| Coefficient B | 3.44804e+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. | 497.00 | |||
| Temperature range, max. | 818.26 | |||
| η | 0.0006361 | Pa×s | 497.00 | Calculated Property |
| η | 0.0003996 | Pa×s | 532.70 | Calculated Property |
| η | 0.0002661 | Pa×s | 568.39 | Calculated Property |
| η | 0.0001860 | Pa×s | 604.09 | Calculated Property |
| η | 0.0001352 | Pa×s | 639.78 | Calculated Property |
| η | 0.0001017 | Pa×s | 675.48 | Calculated Property |
| η | 0.0000787 | Pa×s | 711.18 | Calculated Property |
| η | 0.0000624 | Pa×s | 746.87 | Calculated Property |
| η | 0.0000506 | Pa×s | 782.57 | Calculated Property |
| η | 0.0000417 | Pa×s | 818.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, nonyl 3-phenylpropyl ester.
Sources
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