- InChI
- InChI=1S/C19H34O4/c1-6-7-8-9-10-11-12-15-22-17(20)13-14-18(21)23-16(2)19(3,4)5/h13-14,16H,6-12,15H2,1-5H3/b14-13+
- InChI Key
- IWSPJLGLQVEGTK-BUHFOSPRSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)OC(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° | -278.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.22 | Crippen Calculated Property | |
| logPoct/wat | 4.814 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1213.20 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2137.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Tboil | 787.19 | K | Joback Calculated Property |
| Tc | 976.25 | K | Joback Calculated Property |
| Tfus | 430.55 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.91; 976.82] | J/mol×K | [787.19; 976.25] |
|
| Cp,gas | 885.91 | J/mol×K | 787.19 | Joback Calculated Property |
| Cp,gas | 903.43 | J/mol×K | 818.70 | Joback Calculated Property |
| Cp,gas | 919.95 | J/mol×K | 850.21 | Joback Calculated Property |
| Cp,gas | 935.51 | J/mol×K | 881.72 | Joback Calculated Property |
| Cp,gas | 950.15 | J/mol×K | 913.23 | Joback Calculated Property |
| Cp,gas | 963.91 | J/mol×K | 944.74 | Joback Calculated Property |
| Cp,gas | 976.82 | J/mol×K | 976.25 | Joback Calculated Property |
| η | [0.0000396; 0.0010237] | Pa×s | [430.55; 787.19] |
|
| η | 0.0010237 | Pa×s | 430.55 | Joback Calculated Property |
| η | 0.0004286 | Pa×s | 489.99 | Joback Calculated Property |
| η | 0.0002166 | Pa×s | 549.43 | Joback Calculated Property |
| η | 0.0001251 | Pa×s | 608.87 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 668.31 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 727.75 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 787.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl nonyl ester.
Sources
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