- InChI
- InChI=1S/C19H24O4/c1-5-9-16(6-2)22-18(20)12-8-13-19(21)23-17-11-7-10-14(3)15(17)4/h7,10-11,16H,6,8,12-13H2,1-4H3
- InChI Key
- UQFJBSVQVNQKAC-UHFFFAOYSA-N
- Formula
- C19H24O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc
(C)c1C - 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° | -65.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.56 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 261.090 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | 2333.00 | NIST | |
| Tboil | 831.90 | K | Joback Calculated Property |
| Tc | 1048.53 | K | Joback Calculated Property |
| Tfus | 590.77 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.89; 842.54] | J/mol×K | [831.90; 1048.53] | 
|
| Cp,gas | 767.89 | J/mol×K | 831.90 | Joback Calculated Property |
| Cp,gas | 783.24 | J/mol×K | 868.00 | Joback Calculated Property |
| Cp,gas | 797.40 | J/mol×K | 904.11 | Joback Calculated Property |
| Cp,gas | 810.40 | J/mol×K | 940.21 | Joback Calculated Property |
| Cp,gas | 822.25 | J/mol×K | 976.32 | Joback Calculated Property |
| Cp,gas | 832.96 | J/mol×K | 1012.42 | Joback Calculated Property |
| Cp,gas | 842.54 | J/mol×K | 1048.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2,3-dimethylphenyl ester.
Sources
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