- InChI
- InChI=1S/C22H38O4/c1-3-5-7-8-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-6-4-2/h4,17-18H,2-3,5-16,19-20H2,1H3/b18-17+
- InChI Key
- UTUKZCICGXSHOA-ISLYRVAYSA-N
- Formula
- C22H38O4
- SMILES
-
C=CCCCOC(=O)/C=C/C(=O)OCCCCCCC
CCCCCC - Molecular Weight1
- 366.54
- 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 | 1.0532 | Relay (1.0) Calculated Property | |
| ΔfG° | -318.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -924.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.906 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 960.88 | kPa | Joback Calculated Property |
| Inp | [2583.00; 2583.00] |
|
|
| Inp | 2583.00 | NIST | |
| Inp | 2583.00 | NIST | |
| Tboil | 654.20 | K | Relay (1.0) Calculated Property |
| Tc | 811.66 | K | Relay (1.0) Calculated Property |
| Tfus | 288.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.214 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.05; 1111.46] | 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 | 1.65350e+01 | |||
| Coefficient B | 1.98422e+00 | |||
| Coefficient C | -1.09050e-03 | |||
| Coefficient D | 2.01200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 481.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 590.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 689.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 777.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 854.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 922.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 981.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1032.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1075.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1111.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011087; 0.0000535] | Pa×s | [415.52; 704.23] |
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 | -1.41989e+01 | |||
| Coefficient B | 3.07248e+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. | 415.52 | |||
| Temperature range, max. | 704.23 | |||
| η | 0.0011087 | Pa×s | 415.52 | Calculated Property |
| η | 0.0006526 | Pa×s | 447.60 | Calculated Property |
| η | 0.0004124 | Pa×s | 479.68 | Calculated Property |
| η | 0.0002760 | Pa×s | 511.76 | Calculated Property |
| η | 0.0001937 | Pa×s | 543.84 | Calculated Property |
| η | 0.0001414 | Pa×s | 575.92 | Calculated Property |
| η | 0.0001067 | Pa×s | 608.00 | Calculated Property |
| η | 0.0000828 | Pa×s | 640.08 | Calculated Property |
| η | 0.0000659 | Pa×s | 672.15 | Calculated Property |
| η | 0.0000535 | Pa×s | 704.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pent-4-enyl tridecyl ester.
Sources
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