- InChI
- InChI=1S/C14H26O4/c1-5-17-13(15)8-6-7-9-14(16)18-12(4)10-11(2)3/h11-12H,5-10H2,1-4H3
- InChI Key
- PEVVBDMNEZQQLN-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCOC(=O)CCCCC(=O)OC(C)CC(C)C
- Molecular Weight1
- 258.35
- 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 | 0.7474 | Relay (1.0) Calculated Property | |
| ΔfG° | -558.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | [1620.00; 1620.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 540.09 | K | Relay (1.0) Calculated Property |
| Tc | 711.24 | K | Relay (1.0) Calculated Property |
| Tfus | 238.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.52; 758.90] | 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 | 3.76160e+01 | |||
| Coefficient B | 1.23608e+00 | |||
| Coefficient C | -5.55000e-04 | |||
| Coefficient D | 4.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 407.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 473.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 532.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 585.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 632.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 673.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 707.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 736.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 758.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063664; 0.0001359] | Pa×s | [302.20; 568.07] |
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 | -1.32757e+01 | |||
| Coefficient B | 2.48376e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 302.20 | |||
| Temperature range, max. | 568.07 | |||
| η | 0.0063664 | Pa×s | 302.20 | Calculated Property |
| η | 0.0030622 | Pa×s | 331.74 | Calculated Property |
| η | 0.0016602 | Pa×s | 361.28 | Calculated Property |
| η | 0.0009874 | Pa×s | 390.82 | Calculated Property |
| η | 0.0006317 | Pa×s | 420.37 | Calculated Property |
| η | 0.0004286 | Pa×s | 449.91 | Calculated Property |
| η | 0.0003050 | Pa×s | 479.45 | Calculated Property |
| η | 0.0002258 | Pa×s | 508.99 | Calculated Property |
| η | 0.0001728 | Pa×s | 538.53 | Calculated Property |
| η | 0.0001359 | Pa×s | 568.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, ethyl 4-methylpent-2-yl ester.
Sources
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