- InChI
- InChI=1S/C23H40O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-6-4-2/h4,18-19H,2-3,5-17,20-21H2,1H3/b19-18+
- InChI Key
- GWSDQTQHQSQCSK-VHEBQXMUSA-N
- Formula
- C23H40O4
- SMILES
-
C=CCCCOC(=O)/C=C/C(=O)OCCCCCCC
CCCCCCC - Molecular Weight1
- 380.57
- 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 | 1.0883 | Relay (1.0) Calculated Property | |
| ΔfG° | -309.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -945.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.296 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 906.15 | kPa | Joback Calculated Property |
| Inp | [2681.00; 2681.00] |
|
|
| Inp | 2681.00 | NIST | |
| Inp | 2681.00 | NIST | |
| Tboil | 661.12 | K | Relay (1.0) Calculated Property |
| Tc | 819.36 | K | Relay (1.0) Calculated Property |
| Tfus | 291.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.269 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.26; 1163.05] | 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 | 1.56260e+01 | |||
| Coefficient B | 2.07922e+00 | |||
| Coefficient C | -1.14490e-03 | |||
| Coefficient D | 2.13100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 502.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 617.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 720.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 812.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 893.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 964.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1026.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1079.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1125.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1163.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009676; 0.0000463] | Pa×s | [426.79; 722.90] |
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 | -1.43603e+01 | |||
| Coefficient B | 3.16664e+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. | 426.79 | |||
| Temperature range, max. | 722.90 | |||
| η | 0.0009676 | Pa×s | 426.79 | Calculated Property |
| η | 0.0005690 | Pa×s | 459.69 | Calculated Property |
| η | 0.0003591 | Pa×s | 492.59 | Calculated Property |
| η | 0.0002401 | Pa×s | 525.49 | Calculated Property |
| η | 0.0001684 | Pa×s | 558.39 | Calculated Property |
| η | 0.0001228 | Pa×s | 591.29 | Calculated Property |
| η | 0.0000926 | Pa×s | 624.20 | Calculated Property |
| η | 0.0000718 | Pa×s | 657.10 | Calculated Property |
| η | 0.0000571 | Pa×s | 690.00 | Calculated Property |
| η | 0.0000463 | Pa×s | 722.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pent-4-enyl tetradecyl ester.
Sources
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