- InChI
- InChI=1S/C18H22O4/c1-4-9-15(5-2)21-17(19)12-8-13-18(20)22-16-11-7-6-10-14(16)3/h6-7,10-11,15H,5,8,12-13H2,1-3H3
- InChI Key
- LNEFFUXOFCMHSO-UHFFFAOYSA-N
- Formula
- C18H22O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc
c1C - Molecular Weight1
- 302.36
- 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° | -64.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 3.416 | Crippen Calculated Property | |
| McVol | 247.000 | ml/mol | McGowan Calculated Property |
| Pc | 1780.34 | kPa | Joback Calculated Property |
| Inp | [2187.00; 2187.00] |
|
|
| Inp | 2187.00 | NIST | |
| Inp | 2187.00 | NIST | |
| Tboil | 804.04 | K | Joback Calculated Property |
| Tc | 1021.90 | K | Joback Calculated Property |
| Tfus | 566.98 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.88; 786.57] | J/mol×K | [804.04; 1021.90] |
|
| Cp,gas | 711.88 | J/mol×K | 804.04 | Joback Calculated Property |
| Cp,gas | 727.14 | J/mol×K | 840.35 | Joback Calculated Property |
| Cp,gas | 741.25 | J/mol×K | 876.66 | Joback Calculated Property |
| Cp,gas | 754.24 | J/mol×K | 912.97 | Joback Calculated Property |
| Cp,gas | 766.11 | J/mol×K | 949.28 | Joback Calculated Property |
| Cp,gas | 776.88 | J/mol×K | 985.59 | Joback Calculated Property |
| Cp,gas | 786.57 | J/mol×K | 1021.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-methylphenyl ester.
Sources
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