- InChI
- InChI=1S/C19H34O4/c1-7-8-9-10-16(3)23-18(21)12-11-17(20)22-14-15(2)13-19(4,5)6/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+
- InChI Key
- KKIANBFWNYWUBX-VAWYXSNFSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)OCC(C)C
C(C)(C)C - Molecular Weight1
- 326.47
- 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° | -280.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.670 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1219.99 | kPa | Joback Calculated Property |
| Inp | [2047.00; 2047.00] |
|
|
| Inp | 2047.00 | NIST | |
| Inp | 2047.00 | NIST | |
| Tboil | 786.75 | K | Joback Calculated Property |
| Tc | 977.58 | K | Joback Calculated Property |
| Tfus | 415.55 | K | Joback Calculated Property |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.41; 977.93] | J/mol×K | [786.75; 977.58] |
|
| Cp,gas | 886.41 | J/mol×K | 786.75 | Joback Calculated Property |
| Cp,gas | 904.09 | J/mol×K | 818.55 | Joback Calculated Property |
| Cp,gas | 920.76 | J/mol×K | 850.36 | Joback Calculated Property |
| Cp,gas | 936.43 | J/mol×K | 882.16 | Joback Calculated Property |
| Cp,gas | 951.16 | J/mol×K | 913.97 | Joback Calculated Property |
| Cp,gas | 964.98 | J/mol×K | 945.77 | Joback Calculated Property |
| Cp,gas | 977.93 | J/mol×K | 977.58 | Joback Calculated Property |
| η | [0.0000364; 0.0012707] | Pa×s | [415.55; 786.75] |
|
| η | 0.0012707 | Pa×s | 415.55 | Joback Calculated Property |
| η | 0.0004790 | Pa×s | 477.42 | Joback Calculated Property |
| η | 0.0002259 | Pa×s | 539.28 | Joback Calculated Property |
| η | 0.0001243 | Pa×s | 601.15 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 663.02 | Joback Calculated Property |
| η | 0.0000511 | Pa×s | 724.88 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 786.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl hept-2-yl ester.
Sources
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