- InChI
- InChI=1S/C18H28O4/c1-5-8-9-10-12-15(4)21-17(19)13-14-18(20)22-16(7-3)11-6-2/h13-16H,5,7-10,12H2,1-4H3/b14-13+
- InChI Key
- UYFCAVVQALYUJP-BUHFOSPRSA-N
- Formula
- C18H28O4
- SMILES
-
CC#CC(CC)OC(=O)C=CC(=O)OC(C)CC
CCCC - Molecular Weight1
- 308.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7521 | Relay (... Calculated Property | |
| ΔfG° | -89.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.83 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -5.14 | Relay (... Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 266.460 | ml/mol | McGowan Calculated Property |
| Pc | 1450.14 | kPa | Joback Calculated Property |
| Inp | [2066.00; 2066.00] |
|
|
| Inp | 2066.00 | NIST | |
| Inp | 2066.00 | NIST | |
| Tboil | 563.60 | K | Relay (... Calculated Property |
| Tc | 756.57 | K | Relay (... Calculated Property |
| Tfus | 287.43 | K | Relay (... Calculated Property |
| Vc | 0.947 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.28; 863.49] | J/mol×K | [776.10; 973.70] |
|
| Cp,gas | 778.28 | J/mol×K | 776.10 | Joback Calculated Property |
| Cp,gas | 794.85 | J/mol×K | 809.03 | Joback Calculated Property |
| Cp,gas | 810.44 | J/mol×K | 841.97 | Joback Calculated Property |
| Cp,gas | 825.08 | J/mol×K | 874.90 | Joback Calculated Property |
| Cp,gas | 838.79 | J/mol×K | 907.83 | Joback Calculated Property |
| Cp,gas | 851.58 | J/mol×K | 940.76 | Joback Calculated Property |
| Cp,gas | 863.49 | J/mol×K | 973.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-octyl hex-4-yn-3-yl ester.
Sources
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