- InChI
- InChI=1S/C25H38O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-9,14-15,22-23H,2-6,10-13,16-20H2,1H3
- InChI Key
- HDJDOQGIINBKND-UHFFFAOYSA-N
- Formula
- C25H38O4
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC
Cc1ccccc1 - Molecular Weight1
- 402.57
- 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 | 0.9840 | Relay (1.0) Calculated Property | |
| ΔfG° | -331.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -865.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.873 | Crippen Calculated Property | |
| McVol | 343.370 | ml/mol | McGowan Calculated Property |
| Pc | 1037.23 | kPa | Joback Calculated Property |
| Inp | [2948.00; 2948.00] |
|
|
| Inp | 2948.00 | NIST | |
| Inp | 2948.00 | NIST | |
| Tboil | 688.89 | K | Relay (1.0) Calculated Property |
| Tc | 911.50 | K | Relay (1.0) Calculated Property |
| Tfus | 308.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.258 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.39; 1198.53] | 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 | -6.25900e+01 | |||
| Coefficient B | 2.28592e+00 | |||
| Coefficient C | -1.20380e-03 | |||
| Coefficient D | 1.79000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 475.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 603.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 718.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 820.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 910.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 988.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1056.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1113.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1160.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1198.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007258; 0.0000480] | Pa×s | [485.73; 800.62] |
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 | -1.41331e+01 | |||
| Coefficient B | 3.35388e+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. | 485.73 | |||
| Temperature range, max. | 800.62 | |||
| η | 0.0007258 | Pa×s | 485.73 | Calculated Property |
| η | 0.0004564 | Pa×s | 520.72 | Calculated Property |
| η | 0.0003042 | Pa×s | 555.70 | Calculated Property |
| η | 0.0002128 | Pa×s | 590.69 | Calculated Property |
| η | 0.0001549 | Pa×s | 625.68 | Calculated Property |
| η | 0.0001166 | Pa×s | 660.67 | Calculated Property |
| η | 0.0000903 | Pa×s | 695.65 | Calculated Property |
| η | 0.0000717 | Pa×s | 730.64 | Calculated Property |
| η | 0.0000581 | Pa×s | 765.63 | Calculated Property |
| η | 0.0000480 | Pa×s | 800.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, octyl 3-phenylpropyl ester.
Sources
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