- InChI
- InChI=1S/C21H22O4/c1-3-9-17(4-2)24-20(22)14-8-15-21(23)25-19-13-7-11-16-10-5-6-12-18(16)19/h5-7,10-13,17H,4,8,14-15H2,1-2H3
- InChI Key
- VEUWPWOBRIVPCD-UHFFFAOYSA-N
- Formula
- C21H22O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc
2ccccc12 - Molecular Weight1
- 338.40
- 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 | 0.7981 | Relay (1.0) Calculated Property | |
| ΔfG° | 67.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.261 | Crippen Calculated Property | |
| McVol | 269.810 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Inp | 2722.00 | NIST | |
| Tboil | 672.24 | K | Relay (1.0) Calculated Property |
| Tc | 921.61 | K | Relay (1.0) Calculated Property |
| Tfus | 347.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.950 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.74; 876.62] | J/mol×K | [891.66; 1121.89] | 
|
| Cp,gas | 807.74 | J/mol×K | 891.66 | Joback Calculated Property |
| Cp,gas | 821.92 | J/mol×K | 930.03 | Joback Calculated Property |
| Cp,gas | 834.95 | J/mol×K | 968.40 | Joback Calculated Property |
| Cp,gas | 846.87 | J/mol×K | 1006.78 | Joback Calculated Property |
| Cp,gas | 857.75 | J/mol×K | 1045.15 | Joback Calculated Property |
| Cp,gas | 867.65 | J/mol×K | 1083.52 | Joback Calculated Property |
| Cp,gas | 876.62 | J/mol×K | 1121.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 1-naphthyl ester.
Sources
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