- InChI
- InChI=1S/C17H20O4/c1-4-8-15(6-3)21-17(19)14-10-7-9-13(12-14)16(18)20-11-5-2/h7,9-10,12,15H,5-6,11H2,1-3H3
- InChI Key
- FJWHHSIUKCPJQJ-UHFFFAOYSA-N
- Formula
- C17H20O4
- SMILES
-
CC#CC(CC)OC(=O)c1cccc(C(=O)OCC
C)c1 - Molecular Weight1
- 288.34
- 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° | -72.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 232.910 | ml/mol | McGowan Calculated Property |
| Pc | 1933.83 | kPa | Joback Calculated Property |
| Inp | [2183.00; 2183.00] |
|
|
| Inp | 2183.00 | NIST | |
| Inp | 2183.00 | NIST | |
| Tboil | 781.16 | K | Joback Calculated Property |
| Tc | 1001.61 | K | Joback Calculated Property |
| Tfus | 555.71 | K | Joback Calculated Property |
| Vc | 0.883 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.90; 729.66] | J/mol×K | [781.16; 1001.61] |
|
| Cp,gas | 655.90 | J/mol×K | 781.16 | Joback Calculated Property |
| Cp,gas | 670.93 | J/mol×K | 817.90 | Joback Calculated Property |
| Cp,gas | 684.86 | J/mol×K | 854.64 | Joback Calculated Property |
| Cp,gas | 697.68 | J/mol×K | 891.39 | Joback Calculated Property |
| Cp,gas | 709.41 | J/mol×K | 928.13 | Joback Calculated Property |
| Cp,gas | 720.07 | J/mol×K | 964.87 | Joback Calculated Property |
| Cp,gas | 729.66 | J/mol×K | 1001.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hex-4-yn-3-yl propyl ester.
Sources
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