- InChI
- InChI=1S/C19H34O4/c1-5-7-9-11-13-17(4)23-19(21)15-14-18(20)22-16(3)12-10-8-6-2/h14-17H,5-13H2,1-4H3/b15-14+
- InChI Key
- DJMVHNADFLNVJF-CCEZHUSRSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCCC(C)OC(=O)C=CC(=O)OC(C)C
CCCC - Molecular Weight1
- 326.47
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9070 | Relay (... Calculated Property | |
| ΔfG° | -283.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -994.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.82 | eV | Relay (... Calculated Property |
| log10WS | -5.58 | Relay (... Calculated Property | |
| logPoct/wat | 4.957 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1203.96 | kPa | Joback Calculated Property |
| Inp | [2105.00; 2105.00] |
|
|
| Inp | 2105.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Tboil | 576.19 | K | Relay (... Calculated Property |
| Tc | 752.98 | K | Relay (... Calculated Property |
| Tfus | 268.76 | K | Relay (... Calculated Property |
| Vc | 1.084 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.08; 975.91] | J/mol×K | [789.98; 976.37] |
|
| Cp,gas | 885.08 | J/mol×K | 789.98 | Joback Calculated Property |
| Cp,gas | 902.61 | J/mol×K | 821.05 | Joback Calculated Property |
| Cp,gas | 919.15 | J/mol×K | 852.11 | Joback Calculated Property |
| Cp,gas | 934.72 | J/mol×K | 883.18 | Joback Calculated Property |
| Cp,gas | 949.36 | J/mol×K | 914.24 | Joback Calculated Property |
| Cp,gas | 963.08 | J/mol×K | 945.31 | Joback Calculated Property |
| Cp,gas | 975.91 | J/mol×K | 976.37 | Joback Calculated Property |
| η | [0.0000451; 0.0012655] | Pa×s | [413.13; 789.98] |
|
| η | 0.0012655 | Pa×s | 413.13 | Joback Calculated Property |
| η | 0.0005031 | Pa×s | 475.94 | Joback Calculated Property |
| η | 0.0002480 | Pa×s | 538.75 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 601.56 | Joback Calculated Property |
| η | 0.0000900 | Pa×s | 664.36 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 727.17 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 789.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-octyl hept-2-yl ester.
Sources
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