- InChI
- InChI=1S/C17H30O4/c1-12(2)14(4)21-16(19)9-8-15(18)20-11-13(3)10-17(5,6)7/h8-9,12-14H,10-11H2,1-7H3/b9-8+
- InChI Key
- ULINRDVYPHZRRN-CMDGGOBGSA-N
- Formula
- C17H30O4
- SMILES
-
CC(COC(=O)C=CC(=O)OC(C)C(C)C)C
C(C)(C)C - Molecular Weight1
- 298.42
- 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° | -299.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1410.13 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 740.55 | K | Joback Calculated Property |
| Tc | 934.01 | K | Joback Calculated Property |
| Tfus | 378.01 | K | Joback Calculated Property |
| Vc | 0.987 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [770.66; 860.49] | J/mol×K | [740.55; 934.01] |
|
| Cp,gas | 770.66 | J/mol×K | 740.55 | Joback Calculated Property |
| Cp,gas | 788.04 | J/mol×K | 772.79 | Joback Calculated Property |
| Cp,gas | 804.41 | J/mol×K | 805.04 | Joback Calculated Property |
| Cp,gas | 819.80 | J/mol×K | 837.28 | Joback Calculated Property |
| Cp,gas | 834.26 | J/mol×K | 869.52 | Joback Calculated Property |
| Cp,gas | 847.81 | J/mol×K | 901.76 | Joback Calculated Property |
| Cp,gas | 860.49 | J/mol×K | 934.01 | Joback Calculated Property |
| η | [0.0000453; 0.0021453] | Pa×s | [378.01; 740.55] |
|
| η | 0.0021453 | Pa×s | 378.01 | Joback Calculated Property |
| η | 0.0007244 | Pa×s | 438.43 | Joback Calculated Property |
| η | 0.0003182 | Pa×s | 498.86 | Joback Calculated Property |
| η | 0.0001669 | Pa×s | 559.28 | Joback Calculated Property |
| η | 0.0000993 | Pa×s | 619.70 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 680.13 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 740.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-yl ester.
Sources
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