- InChI
- InChI=1S/C19H36O4/c1-5-6-7-12-17(4)23-19(21)14-9-8-13-18(20)22-15-10-11-16(2)3/h16-17H,5-15H2,1-4H3
- InChI Key
- QQXCEIYYGFVTJW-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCC(C)OC(=O)CCCCC(=O)OCCCC(
C)C - Molecular Weight1
- 328.49
- Other Names
-
- Adipic acid, 2-heptyl hexyl ester
- 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 | 0.9357 | Relay (1.0) Calculated Property | |
| ΔfG° | -516.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.038 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1099.35 | kPa | Joback Calculated Property |
| Inp | [2116.00; 2116.00] |
|
|
| Inp | 2116.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Tboil | 591.91 | K | Relay (1.0) Calculated Property |
| Tc | 764.41 | K | Relay (1.0) Calculated Property |
| Tfus | 244.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.59; 1016.85] | 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 | 3.30710e+01 | |||
| Coefficient B | 1.71108e+00 | |||
| Coefficient C | -8.27000e-04 | |||
| Coefficient D | 9.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 440.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 539.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 628.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 708.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 780.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 843.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 898.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 945.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 984.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1016.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030574; 0.0000765] | Pa×s | [358.55; 648.97] |
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 | -1.40305e+01 | |||
| Coefficient B | 2.95456e+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. | 358.55 | |||
| Temperature range, max. | 648.97 | |||
| η | 0.0030574 | Pa×s | 358.55 | Calculated Property |
| η | 0.0015484 | Pa×s | 390.82 | Calculated Property |
| η | 0.0008699 | Pa×s | 423.09 | Calculated Property |
| η | 0.0005303 | Pa×s | 455.36 | Calculated Property |
| η | 0.0003452 | Pa×s | 487.62 | Calculated Property |
| η | 0.0002370 | Pa×s | 519.89 | Calculated Property |
| η | 0.0001700 | Pa×s | 552.16 | Calculated Property |
| η | 0.0001265 | Pa×s | 584.43 | Calculated Property |
| η | 0.0000971 | Pa×s | 616.70 | Calculated Property |
| η | 0.0000765 | Pa×s | 648.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2-heptyl iso-hexyl ester.
Sources
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