- InChI
- InChI=1S/C19H24O4/c1-4-7-8-13-22-18(20)15-11-9-12-16(14-15)19(21)23-17(6-3)10-5-2/h9,11-12,14,17H,4,6-8,13H2,1-3H3
- InChI Key
- VQOBBWZFRSMSIQ-UHFFFAOYSA-N
- Formula
- C19H24O4
- SMILES
-
CC#CC(CC)OC(=O)c1cccc(C(=O)OCC
CCC)c1 - Molecular Weight1
- 316.39
- 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° | -55.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 3.992 | Crippen Calculated Property | |
| McVol | 261.090 | ml/mol | McGowan Calculated Property |
| Pc | 1644.42 | kPa | Joback Calculated Property |
| Inp | 2391.00 | NIST | |
| Tboil | 826.92 | K | Joback Calculated Property |
| Tc | 1042.78 | K | Joback Calculated Property |
| Tfus | 578.25 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.81; 844.15] | J/mol×K | [826.92; 1042.78] | 
|
| Cp,gas | 768.81 | J/mol×K | 826.92 | Joback Calculated Property |
| Cp,gas | 784.24 | J/mol×K | 862.90 | Joback Calculated Property |
| Cp,gas | 798.50 | J/mol×K | 898.87 | Joback Calculated Property |
| Cp,gas | 811.60 | J/mol×K | 934.85 | Joback Calculated Property |
| Cp,gas | 823.57 | J/mol×K | 970.82 | Joback Calculated Property |
| Cp,gas | 834.41 | J/mol×K | 1006.80 | Joback Calculated Property |
| Cp,gas | 844.15 | J/mol×K | 1042.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hex-4-yn-3-yl pentyl ester.
Sources
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