- InChI
- InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)17-18-23(25)27-20-15-16-21(2)3/h17-18,21H,4-16,19-20H2,1-3H3/b18-17+
- InChI Key
- MQOYZZBFXRGHMQ-ISLYRVAYSA-N
- Formula
- C23H42O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)/C=C/C(=O)O
CCCC(C)C - Molecular Weight1
- 382.58
- 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 | 1.0936 | Relay (1.0) Calculated Property | |
| ΔfG° | -400.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1048.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.376 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 887.88 | kPa | Joback Calculated Property |
| Inp | [2644.00; 2644.00] |
|
|
| Inp | 2644.00 | NIST | |
| Inp | 2644.00 | NIST | |
| Tboil | 635.27 | K | Relay (1.0) Calculated Property |
| Tc | 808.96 | K | Relay (1.0) Calculated Property |
| Tfus | 296.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.301 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.76; 1192.10] | 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 | 1.69350e+01 | |||
| Coefficient B | 2.10516e+00 | |||
| Coefficient C | -1.12520e-03 | |||
| Coefficient D | 1.95200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 511.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 629.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 735.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 829.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 913.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 986.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1050.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1106.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1152.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1192.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012068; 0.0000403] | Pa×s | [413.55; 725.32] |
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 | -1.46260e+01 | |||
| Coefficient B | 3.26962e+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. | 413.55 | |||
| Temperature range, max. | 725.32 | |||
| η | 0.0012068 | Pa×s | 413.55 | Calculated Property |
| η | 0.0006550 | Pa×s | 448.19 | Calculated Property |
| η | 0.0003881 | Pa×s | 482.83 | Calculated Property |
| η | 0.0002466 | Pa×s | 517.47 | Calculated Property |
| η | 0.0001659 | Pa×s | 552.11 | Calculated Property |
| η | 0.0001170 | Pa×s | 586.75 | Calculated Property |
| η | 0.0000857 | Pa×s | 621.39 | Calculated Property |
| η | 0.0000649 | Pa×s | 656.03 | Calculated Property |
| η | 0.0000506 | Pa×s | 690.68 | Calculated Property |
| η | 0.0000403 | Pa×s | 725.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl tridecyl ester.
Sources
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