- InChI
- InChI=1S/C25H42O4/c1-4-6-8-10-11-12-13-14-15-16-18-22-28-24(26)20-21-25(27)29-23(3)19-17-9-7-5-2/h20-21,23H,4-15,17,19,22H2,1-3H3/b21-20+
- InChI Key
- QKQPEZIKBVGYQM-QZQOTICOSA-N
- Formula
- C25H42O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)C=CC(=O)OC
(C)CCCCCC - Molecular Weight1
- 406.60
- 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).
- 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° | -27.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.28 | kJ/mol | Joback Calculated Property |
| log10WS | -7.77 | Crippen Calculated Property | |
| logPoct/wat | 6.522 | Crippen Calculated Property | |
| McVol | 365.090 | ml/mol | McGowan Calculated Property |
| Pc | 914.94 | kPa | Joback Calculated Property |
| Inp | [2805.00; 2805.00] |
|
|
| Inp | 2805.00 | NIST | |
| Inp | 2805.00 | NIST | |
| Tboil | 936.70 | K | Joback Calculated Property |
| Tc | 1146.78 | K | Joback Calculated Property |
| Tfus | 601.85 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1200.29; 1293.25] | J/mol×K | [936.70; 1146.78] |
|
| Cp,gas | 1200.29 | J/mol×K | 936.70 | Joback Calculated Property |
| Cp,gas | 1218.90 | J/mol×K | 971.71 | Joback Calculated Property |
| Cp,gas | 1236.20 | J/mol×K | 1006.73 | Joback Calculated Property |
| Cp,gas | 1252.24 | J/mol×K | 1041.74 | Joback Calculated Property |
| Cp,gas | 1267.06 | J/mol×K | 1076.76 | Joback Calculated Property |
| Cp,gas | 1280.72 | J/mol×K | 1111.77 | Joback Calculated Property |
| Cp,gas | 1293.25 | J/mol×K | 1146.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-octyl tridec-2-yn-1-yl ester.
Sources
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