- InChI
- InChI=1S/C18H22O5/c1-4-9-14(5-2)22-17(19)12-8-13-18(20)23-16-11-7-6-10-15(16)21-3/h6-7,10-11,14H,5,8,12-13H2,1-3H3
- InChI Key
- QSIWSUQHRDYBOB-UHFFFAOYSA-N
- Formula
- C18H22O5
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc
c1OC - Molecular Weight1
- 318.36
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7952 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.116 | Crippen Calculated Property | |
| McVol | 252.870 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | [2329.00; 2329.00] |
|
|
| Inp | 2329.00 | NIST | |
| Inp | 2329.00 | NIST | |
| Tboil | 622.65 | K | Relay (1.0) Calculated Property |
| Tc | 834.13 | K | Relay (1.0) Calculated Property |
| Tfus | 337.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.59; 809.88] | J/mol×K | [826.46; 1043.06] |
|
| Cp,gas | 739.59 | J/mol×K | 826.46 | Joback Calculated Property |
| Cp,gas | 754.31 | J/mol×K | 862.56 | Joback Calculated Property |
| Cp,gas | 767.83 | J/mol×K | 898.66 | Joback Calculated Property |
| Cp,gas | 780.15 | J/mol×K | 934.76 | Joback Calculated Property |
| Cp,gas | 791.26 | J/mol×K | 970.86 | Joback Calculated Property |
| Cp,gas | 801.17 | J/mol×K | 1006.96 | Joback Calculated Property |
| Cp,gas | 809.88 | J/mol×K | 1043.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-methoxyphenyl ester.
Sources
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