- InChI
- InChI=1S/C16H26O5/c1-4-5-6-7-8-9-12-20-15(18)10-11-16(19)21-14(3)13(2)17/h10-11,14H,4-9,12H2,1-3H3/b11-10+
- InChI Key
- HQFHXZPDBQRTDN-ZHACJKMWSA-N
- Formula
- C16H26O5
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)OC(C)C(C
)=O - Molecular Weight1
- 298.37
- 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° | -435.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -863.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 2.967 | Crippen Calculated Property | |
| McVol | 248.450 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Inp | [2063.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2063.00 | NIST | |
| Tboil | 775.65 | K | Joback Calculated Property |
| Tc | 966.11 | K | Joback Calculated Property |
| Tfus | 444.25 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.77; 808.30] | J/mol×K | [775.65; 966.11] |
|
| Cp,gas | 731.77 | J/mol×K | 775.65 | Joback Calculated Property |
| Cp,gas | 746.68 | J/mol×K | 807.39 | Joback Calculated Property |
| Cp,gas | 760.71 | J/mol×K | 839.14 | Joback Calculated Property |
| Cp,gas | 773.86 | J/mol×K | 870.88 | Joback Calculated Property |
| Cp,gas | 786.17 | J/mol×K | 902.62 | Joback Calculated Property |
| Cp,gas | 797.64 | J/mol×K | 934.37 | Joback Calculated Property |
| Cp,gas | 808.30 | J/mol×K | 966.11 | Joback Calculated Property |
| η | [0.0000716; 0.0010714] | Pa×s | [444.25; 775.65] |
|
| η | 0.0010714 | Pa×s | 444.25 | Joback Calculated Property |
| η | 0.0005318 | Pa×s | 499.48 | Joback Calculated Property |
| η | 0.0003035 | Pa×s | 554.72 | Joback Calculated Property |
| η | 0.0001917 | Pa×s | 609.95 | Joback Calculated Property |
| η | 0.0001307 | Pa×s | 665.18 | Joback Calculated Property |
| η | 0.0000945 | Pa×s | 720.42 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 775.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl 3-oxobut-2-yl ester.
Sources
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