- InChI
- InChI=1S/C19H24O4/c1-5-7-11-17(12-14(3)4)23-19(21)16-10-8-9-15(13-16)18(20)22-6-2/h8-10,13-14,17H,5-6,12H2,1-4H3
- InChI Key
- LVWSDCWTSSNRMU-UHFFFAOYSA-N
- Formula
- C19H24O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=
O)OCC)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° | -58.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.39 | Crippen Calculated Property | |
| logPoct/wat | 3.848 | Crippen Calculated Property | |
| McVol | 261.090 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | 2265.00 | NIST | |
| Tboil | 826.48 | K | Joback Calculated Property |
| Tc | 1045.26 | K | Joback Calculated Property |
| Tfus | 563.25 | K | Joback Calculated Property |
| Vc | 0.990 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.36; 845.22] | J/mol×K | [826.48; 1045.26] | 
|
| Cp,gas | 769.36 | J/mol×K | 826.48 | Joback Calculated Property |
| Cp,gas | 784.99 | J/mol×K | 862.94 | Joback Calculated Property |
| Cp,gas | 799.39 | J/mol×K | 899.41 | Joback Calculated Property |
| Cp,gas | 812.60 | J/mol×K | 935.87 | Joback Calculated Property |
| Cp,gas | 824.63 | J/mol×K | 972.33 | Joback Calculated Property |
| Cp,gas | 835.50 | J/mol×K | 1008.80 | Joback Calculated Property |
| Cp,gas | 845.22 | J/mol×K | 1045.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester.
Sources
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