- InChI
- InChI=1S/C25H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-20-24(26)28-22-18-6-4-2/h4,20-21H,2-3,5-19,22-23H2,1H3/b21-20+
- InChI Key
- VLNKWXUIAJGQCF-QZQOTICOSA-N
- Formula
- C25H44O4
- SMILES
-
C=CCCCOC(=O)C=CC(=O)OCCCCCCCCC
CCCCCCC - Molecular Weight1
- 408.61
- 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 | 1.1623 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -985.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.076 | Crippen Calculated Property | |
| McVol | 369.390 | ml/mol | McGowan Calculated Property |
| Pc | 809.83 | kPa | Joback Calculated Property |
| Inp | [2870.00; 2870.00] |
|
|
| Inp | 2870.00 | NIST | |
| Inp | 2870.00 | NIST | |
| Tboil | 668.67 | K | Relay (1.0) Calculated Property |
| Tc | 829.93 | K | Relay (1.0) Calculated Property |
| Tfus | 292.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.381 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.69; 1266.23] | 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 | 1.38080e+01 | |||
| Coefficient B | 2.26922e+00 | |||
| Coefficient C | -1.25370e-03 | |||
| Coefficient D | 2.36900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 544.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 670.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 782.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 882.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 971.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1048.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1116.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1174.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1224.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1266.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007313; 0.0000341] | Pa×s | [449.33; 762.07] |
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 | -1.46872e+01 | |||
| Coefficient B | 3.35496e+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. | 449.33 | |||
| Temperature range, max. | 762.07 | |||
| η | 0.0007313 | Pa×s | 449.33 | Calculated Property |
| η | 0.0004279 | Pa×s | 484.08 | Calculated Property |
| η | 0.0002690 | Pa×s | 518.83 | Calculated Property |
| η | 0.0001793 | Pa×s | 553.58 | Calculated Property |
| η | 0.0001253 | Pa×s | 588.33 | Calculated Property |
| η | 0.0000912 | Pa×s | 623.07 | Calculated Property |
| η | 0.0000686 | Pa×s | 657.82 | Calculated Property |
| η | 0.0000531 | Pa×s | 692.57 | Calculated Property |
| η | 0.0000421 | Pa×s | 727.32 | Calculated Property |
| η | 0.0000341 | Pa×s | 762.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexadecyl pent-4-enyl ester.
Sources
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