- InChI
- InChI=1S/C15H28O4/c1-6-18-13(16)9-7-8-10-14(17)19-15(11(2)3)12(4)5/h11-12,15H,6-10H2,1-5H3
- InChI Key
- IZSXMOQPGJLKDG-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CCOC(=O)CCCCC(=O)OC(C(C)C)C(C)
C - Molecular Weight1
- 272.38
- 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 | 0.7542 | Relay (1.0) Calculated Property | |
| ΔfG° | -552.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -991.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1452.35 | kPa | Joback Calculated Property |
| Inp | [1717.00; 1717.00] |
|
|
| Inp | 1717.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Tboil | 560.09 | K | Relay (1.0) Calculated Property |
| Tc | 725.31 | K | Relay (1.0) Calculated Property |
| Tfus | 242.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.42; 811.02] | 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 | 3.50250e+01 | |||
| Coefficient B | 1.33700e+00 | |||
| Coefficient C | -6.12600e-04 | |||
| Coefficient D | 5.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 355.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 504.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 675.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 718.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 755.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 786.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 811.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0082962; 0.0001134] | Pa×s | [298.47; 585.05] |
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 | -1.35558e+01 | |||
| Coefficient B | 2.61574e+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. | 298.47 | |||
| Temperature range, max. | 585.05 | |||
| η | 0.0082962 | Pa×s | 298.47 | Calculated Property |
| η | 0.0035643 | Pa×s | 330.31 | Calculated Property |
| η | 0.0017766 | Pa×s | 362.15 | Calculated Property |
| η | 0.0009910 | Pa×s | 394.00 | Calculated Property |
| η | 0.0006032 | Pa×s | 425.84 | Calculated Property |
| η | 0.0003934 | Pa×s | 457.68 | Calculated Property |
| η | 0.0002713 | Pa×s | 489.52 | Calculated Property |
| η | 0.0001957 | Pa×s | 521.37 | Calculated Property |
| η | 0.0001466 | Pa×s | 553.21 | Calculated Property |
| η | 0.0001134 | Pa×s | 585.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,4-dimethylpent-3-yl ethyl ester.
Sources
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