- InChI
- InChI=1S/C17H30O4/c1-3-5-7-11-15-21-17(19)13-9-8-12-16(18)20-14-10-6-4-2/h4H,2-3,5-15H2,1H3
- InChI Key
- GOAGTLJBVXMPKD-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
- C=CCCCOC(=O)CCCCC(=O)OCCCCCC
- Molecular Weight1
- 298.42
- 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 | 0.8978 | Relay (1.0) Calculated Property | |
| ΔfG° | -440.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -911.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.180 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1277.33 | kPa | Joback Calculated Property |
| Inp | [2045.00; 2045.00] |
|
|
| Inp | 2045.00 | NIST | |
| Inp | 2045.00 | NIST | |
| Tboil | 611.81 | K | Relay (1.0) Calculated Property |
| Tc | 764.44 | K | Relay (1.0) Calculated Property |
| Tfus | 254.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.98; 884.08] | 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 | 3.52620e+01 | |||
| Coefficient B | 1.48922e+00 | |||
| Coefficient C | -7.34700e-04 | |||
| Coefficient D | 9.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 388.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 474.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 620.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 681.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 735.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 782.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 822.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 856.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 884.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022079; 0.0001190] | Pa×s | [364.25; 612.35] |
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 | -1.33235e+01 | |||
| Coefficient B | 2.62544e+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. | 364.25 | |||
| Temperature range, max. | 612.35 | |||
| η | 0.0022079 | Pa×s | 364.25 | Calculated Property |
| η | 0.0013297 | Pa×s | 391.82 | Calculated Property |
| η | 0.0008560 | Pa×s | 419.38 | Calculated Property |
| η | 0.0005818 | Pa×s | 446.95 | Calculated Property |
| η | 0.0004136 | Pa×s | 474.52 | Calculated Property |
| η | 0.0003052 | Pa×s | 502.08 | Calculated Property |
| η | 0.0002325 | Pa×s | 529.65 | Calculated Property |
| η | 0.0001819 | Pa×s | 557.22 | Calculated Property |
| η | 0.0001457 | Pa×s | 584.78 | Calculated Property |
| η | 0.0001190 | Pa×s | 612.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, hexyl pent-4-enyl ester.
Sources
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