- InChI
- InChI=1S/C25H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-29-25(27)21-17-16-20-24(26)28-22-18-6-4-2/h4H,2-3,5-23H2,1H3
- InChI Key
- LKBZUKWYUUKCKP-UHFFFAOYSA-N
- Formula
- C25H46O4
- SMILES
-
C=CCCCOC(=O)CCCCC(=O)OCCCCCCCC
CCCCCC - Molecular Weight1
- 410.63
- 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 | 1.1800 | Relay (1.0) Calculated Property | |
| ΔfG° | -373.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1073.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.300 | Crippen Calculated Property | |
| McVol | 373.690 | ml/mol | McGowan Calculated Property |
| Pc | 786.39 | kPa | Joback Calculated Property |
| Inp | [2817.00; 2817.00] |
|
|
| Inp | 2817.00 | NIST | |
| Inp | 2817.00 | NIST | |
| Tboil | 671.79 | K | Relay (1.0) Calculated Property |
| Tc | 827.33 | K | Relay (1.0) Calculated Property |
| Tfus | 290.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.426 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.69; 1296.81] | 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 | 2.79900e+01 | |||
| Coefficient B | 2.24922e+00 | |||
| Coefficient C | -1.16990e-03 | |||
| Coefficient D | 1.89500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 558.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 685.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 800.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 902.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 993.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1073.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1142.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1203.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1254.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1296.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007764; 0.0000393] | Pa×s | [454.41; 759.04] |
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 | -1.45963e+01 | |||
| Coefficient B | 3.37872e+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. | 454.41 | |||
| Temperature range, max. | 759.04 | |||
| η | 0.0007764 | Pa×s | 454.41 | Calculated Property |
| η | 0.0004637 | Pa×s | 488.26 | Calculated Property |
| η | 0.0002961 | Pa×s | 522.11 | Calculated Property |
| η | 0.0001997 | Pa×s | 555.95 | Calculated Property |
| η | 0.0001409 | Pa×s | 589.80 | Calculated Property |
| η | 0.0001032 | Pa×s | 623.65 | Calculated Property |
| η | 0.0000781 | Pa×s | 657.50 | Calculated Property |
| η | 0.0000607 | Pa×s | 691.34 | Calculated Property |
| η | 0.0000483 | Pa×s | 725.19 | Calculated Property |
| η | 0.0000393 | Pa×s | 759.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, pent-4-enyl tetradecyl ester.
Sources
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