- InChI
- InChI=1S/C14H24O4/c1-3-5-8-12-18-14(16)10-7-6-9-13(15)17-11-4-2/h3H,1,4-12H2,2H3
- InChI Key
- XAJGWDCLNPIWMB-UHFFFAOYSA-N
- Formula
- C14H24O4
- SMILES
- C=CCCCOC(=O)CCCCC(=O)OCCC
- Molecular Weight1
- 256.34
- 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 | 0.7899 | Relay (1.0) Calculated Property | |
| ΔfG° | -465.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.009 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1587.28 | kPa | Joback Calculated Property |
| Inp | [1757.00; 1757.00] |
|
|
| Inp | 1757.00 | NIST | |
| Inp | 1757.00 | NIST | |
| Tboil | 576.96 | K | Relay (1.0) Calculated Property |
| Tc | 731.01 | K | Relay (1.0) Calculated Property |
| Tfus | 242.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.825 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.34; 729.31] | 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 | 3.79890e+01 | |||
| Coefficient B | 1.20422e+00 | |||
| Coefficient C | -5.71500e-04 | |||
| Coefficient D | 5.86000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 325.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 395.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 458.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 514.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 565.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 609.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 647.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 680.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 707.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 729.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030639; 0.0001621] | Pa×s | [330.44; 564.38] |
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 | -1.28785e+01 | |||
| Coefficient B | 2.34296e+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. | 330.44 | |||
| Temperature range, max. | 564.38 | |||
| η | 0.0030639 | Pa×s | 330.44 | Calculated Property |
| η | 0.0018269 | Pa×s | 356.43 | Calculated Property |
| η | 0.0011686 | Pa×s | 382.43 | Calculated Property |
| η | 0.0007913 | Pa×s | 408.42 | Calculated Property |
| η | 0.0005614 | Pa×s | 434.41 | Calculated Property |
| η | 0.0004140 | Pa×s | 460.41 | Calculated Property |
| η | 0.0003154 | Pa×s | 486.40 | Calculated Property |
| η | 0.0002471 | Pa×s | 512.39 | Calculated Property |
| η | 0.0001981 | Pa×s | 538.39 | Calculated Property |
| η | 0.0001621 | Pa×s | 564.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, pent-4-enyl propyl ester.
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