- InChI
- InChI=1S/C14H22O5/c1-4-5-6-7-10-18-13(16)8-9-14(17)19-12(3)11(2)15/h8-9,12H,4-7,10H2,1-3H3/b9-8+
- InChI Key
- ZHRFVSDJOSIEJI-CMDGGOBGSA-N
- Formula
- C14H22O5
- SMILES
-
CCCCCCOC(=O)C=CC(=O)OC(C)C(C)=
O - Molecular Weight1
- 270.32
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -451.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.187 | Crippen Calculated Property | |
| McVol | 220.270 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Inp | 1861.00 | NIST | |
| Tboil | 729.89 | K | Joback Calculated Property |
| Tc | 921.00 | K | Joback Calculated Property |
| Tfus | 421.71 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.53; 693.43] | J/mol×K | [729.89; 921.00] | 
|
| Cp,gas | 620.53 | J/mol×K | 729.89 | Joback Calculated Property |
| Cp,gas | 634.65 | J/mol×K | 761.74 | Joback Calculated Property |
| Cp,gas | 647.97 | J/mol×K | 793.59 | Joback Calculated Property |
| Cp,gas | 660.49 | J/mol×K | 825.44 | Joback Calculated Property |
| Cp,gas | 672.24 | J/mol×K | 857.29 | Joback Calculated Property |
| Cp,gas | 683.21 | J/mol×K | 889.14 | Joback Calculated Property |
| Cp,gas | 693.43 | J/mol×K | 921.00 | Joback Calculated Property |
| η | [0.0000936; 0.0012972] | Pa×s | [421.71; 729.89] |
|
| η | 0.0012972 | Pa×s | 421.71 | Joback Calculated Property |
| η | 0.0006598 | Pa×s | 473.07 | Joback Calculated Property |
| η | 0.0003832 | Pa×s | 524.44 | Joback Calculated Property |
| η | 0.0002451 | Pa×s | 575.80 | Joback Calculated Property |
| η | 0.0001688 | Pa×s | 627.16 | Joback Calculated Property |
| η | 0.0001229 | Pa×s | 678.53 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 729.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl 3-oxobut-2-yl ester.
Sources
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