- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1021.42; 1113.90] | J/mol×K | [820.24; 1006.05] |
|
| Cp,gas | 1021.42 | J/mol×K | 820.24 | Joback Calculated Property |
| Cp,gas | 1039.48 | J/mol×K | 851.21 | Joback Calculated Property |
| Cp,gas | 1056.43 | J/mol×K | 882.18 | Joback Calculated Property |
| Cp,gas | 1072.32 | J/mol×K | 913.14 | Joback Calculated Property |
| Cp,gas | 1087.16 | J/mol×K | 944.11 | Joback Calculated Property |
| Cp,gas | 1101.01 | J/mol×K | 975.08 | Joback Calculated Property |
| Cp,gas | 1113.90 | J/mol×K | 1006.05 | Joback Calculated Property |
| η | [0.0000289; 0.0011087] | Pa×s | [415.52; 820.24] |
|
| η | 0.0011087 | Pa×s | 415.52 | Joback Calculated Property |
| η | 0.0003947 | Pa×s | 482.97 | Joback Calculated Property |
| η | 0.0001810 | Pa×s | 550.43 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 617.88 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 685.33 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 752.79 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 820.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pent-4-enyl tridecyl ester.
Sources
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