- InChI
- InChI=1S/C18H30O5/c1-4-5-6-7-8-9-10-11-14-22-17(20)12-13-18(21)23-16(3)15(2)19/h12-13,16H,4-11,14H2,1-3H3/b13-12+
- InChI Key
- FJPSBMKBLVBCMB-OUKQBFOZSA-N
- Formula
- C18H30O5
- SMILES
-
CCCCCCCCCCOC(=O)C=CC(=O)OC(C)C
(C)=O - Molecular Weight1
- 326.43
- 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° | -418.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -905.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 3.747 | Crippen Calculated Property | |
| McVol | 276.630 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | [2257.00; 2257.00] |
|
|
| Inp | 2257.00 | NIST | |
| Inp | 2257.00 | NIST | |
| Tboil | 821.41 | K | Joback Calculated Property |
| Tc | 1013.64 | K | Joback Calculated Property |
| Tfus | 466.79 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.01; 926.54] | J/mol×K | [821.41; 1013.64] |
|
| Cp,gas | 847.01 | J/mol×K | 821.41 | Joback Calculated Property |
| Cp,gas | 862.63 | J/mol×K | 853.45 | Joback Calculated Property |
| Cp,gas | 877.27 | J/mol×K | 885.49 | Joback Calculated Property |
| Cp,gas | 890.96 | J/mol×K | 917.52 | Joback Calculated Property |
| Cp,gas | 903.72 | J/mol×K | 949.56 | Joback Calculated Property |
| Cp,gas | 915.57 | J/mol×K | 981.60 | Joback Calculated Property |
| Cp,gas | 926.54 | J/mol×K | 1013.64 | Joback Calculated Property |
| η | [0.0000540; 0.0008680] | Pa×s | [466.79; 821.41] |
|
| η | 0.0008680 | Pa×s | 466.79 | Joback Calculated Property |
| η | 0.0004213 | Pa×s | 525.89 | Joback Calculated Property |
| η | 0.0002367 | Pa×s | 585.00 | Joback Calculated Property |
| η | 0.0001478 | Pa×s | 644.10 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 703.20 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 762.31 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 821.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, decyl 3-oxobut-2-yl ester.
Sources
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