- InChI
- InChI=1S/C22H24O2/c1-5-9-17(4)21(15-14-16(2)3)24-22(23)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,17,21H,2,5,9H2,1,3-4H3
- InChI Key
- ZADXSOUCXHUWLU-UHFFFAOYSA-N
- Formula
- C22H24O2
- SMILES
-
C=C(C)C#CC(OC(=O)c1cccc2ccccc1
2)C(C)CCC - Molecular Weight1
- 320.42
- 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 | 0.6585 | Relay (... Calculated Property | |
| ΔfG° | 387.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.31 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -5.93 | Relay (... Calculated Property | |
| logPoct/wat | 5.381 | Crippen Calculated Property | |
| McVol | 272.160 | ml/mol | McGowan Calculated Property |
| Pc | 1600.00 | kPa | Joback Calculated Property |
| Inp | [2360.00; 2360.00] |
|
|
| Inp | 2360.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Tboil | 657.97 | K | Relay (... Calculated Property |
| Tc | 902.75 | K | Relay (... Calculated Property |
| Tfus | 317.00 | K | Relay (... Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.59; 881.85] | J/mol×K | [834.37; 1067.45] |
|
| Cp,gas | 796.59 | J/mol×K | 834.37 | Joback Calculated Property |
| Cp,gas | 813.42 | J/mol×K | 873.22 | Joback Calculated Property |
| Cp,gas | 829.07 | J/mol×K | 912.06 | Joback Calculated Property |
| Cp,gas | 843.65 | J/mol×K | 950.91 | Joback Calculated Property |
| Cp,gas | 857.24 | J/mol×K | 989.75 | Joback Calculated Property |
| Cp,gas | 869.94 | J/mol×K | 1028.60 | Joback Calculated Property |
| Cp,gas | 881.85 | J/mol×K | 1067.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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