- InChI
- InChI=1S/C15H24O4/c1-3-5-11-19-15(17)13-9-7-6-8-12(13)14(16)18-10-4-2/h4,12-13H,2-3,5-11H2,1H3
- InChI Key
- AYLHMZJHXHVOOV-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
- C=CCOC(=O)C1CCCCC1C(=O)OCCCC
- Molecular Weight1
- 268.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -805.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.20 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 221.930 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Inp | [1819.00; 1819.00] |
|
|
| Inp | 1819.00 | NIST | |
| Inp | 1819.00 | NIST | |
| Tboil | 585.82 | K | Relay (1.0) Calculated Property |
| Tc | 788.30 | K | Relay (1.0) Calculated Property |
| Tfus | 261.46 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.70; 772.63] | 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 | -2.25860e+01 | |||
| Coefficient B | 1.39482e+00 | |||
| Coefficient C | -6.51500e-04 | |||
| Coefficient D | 5.19000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 310.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 391.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 464.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 530.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 588.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 639.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 682.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 719.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 749.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 772.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029723; 0.0001639] | Pa×s | [344.85; 607.03] |
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 | -1.25277e+01 | |||
| Coefficient B | 2.31370e+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. | 344.85 | |||
| Temperature range, max. | 607.03 | |||
| η | 0.0029723 | Pa×s | 344.85 | Calculated Property |
| η | 0.0017625 | Pa×s | 373.98 | Calculated Property |
| η | 0.0011271 | Pa×s | 403.11 | Calculated Property |
| η | 0.0007656 | Pa×s | 432.24 | Calculated Property |
| η | 0.0005460 | Pa×s | 461.37 | Calculated Property |
| η | 0.0004054 | Pa×s | 490.50 | Calculated Property |
| η | 0.0003112 | Pa×s | 519.63 | Calculated Property |
| η | 0.0002457 | Pa×s | 548.76 | Calculated Property |
| η | 0.0001986 | Pa×s | 577.90 | Calculated Property |
| η | 0.0001639 | Pa×s | 607.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, allyl butyl ester.
Sources
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