- InChI
- InChI=1S/C30H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-24-33-29(31)27-21-16-17-22-28(27)30(32)34-25-23-26-19-14-13-15-20-26/h26-28H,2-25H2,1H3
- InChI Key
- JOKNBIUQXMHWFA-UHFFFAOYSA-N
- Formula
- C30H54O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(
=O)OCCC1CCCCC1 - Molecular Weight1
- 478.75
- 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 | 1.1296 | Relay (1.0) Calculated Property | |
| ΔfG° | -377.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1195.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.551 | Crippen Calculated Property | |
| McVol | 426.720 | ml/mol | McGowan Calculated Property |
| Pc | 726.14 | kPa | Joback Calculated Property |
| Inp | [3431.00; 3431.00] |
|
|
| Inp | 3431.00 | NIST | |
| Inp | 3431.00 | NIST | |
| Tboil | 717.46 | K | Relay (1.0) Calculated Property |
| Tc | 941.95 | K | Relay (1.0) Calculated Property |
| Tfus | 315.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.581 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.60; 1560.09] | 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 | -9.88350e+01 | |||
| Coefficient B | 2.96192e+00 | |||
| Coefficient C | -1.52560e-03 | |||
| Coefficient D | 2.22600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 600.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 767.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 918.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1052.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1171.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1276.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1366.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1443.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1507.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1560.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004956; 0.0000226] | Pa×s | [523.04; 890.16] |
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 | -1.50958e+01 | |||
| Coefficient B | 3.91553e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 523.04 | |||
| Temperature range, max. | 890.16 | |||
| η | 0.0004956 | Pa×s | 523.04 | Calculated Property |
| η | 0.0002884 | Pa×s | 563.83 | Calculated Property |
| η | 0.0001805 | Pa×s | 604.62 | Calculated Property |
| η | 0.0001199 | Pa×s | 645.41 | Calculated Property |
| η | 0.0000836 | Pa×s | 686.20 | Calculated Property |
| η | 0.0000607 | Pa×s | 727.00 | Calculated Property |
| η | 0.0000456 | Pa×s | 767.79 | Calculated Property |
| η | 0.0000352 | Pa×s | 808.58 | Calculated Property |
| η | 0.0000279 | Pa×s | 849.37 | Calculated Property |
| η | 0.0000226 | Pa×s | 890.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl tetradecyl ester.
Sources
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