- InChI
- InChI=1S/C20H22O2/c1-4-5-11-17(14-15(2)3)22-20(21)19-13-8-10-16-9-6-7-12-18(16)19/h6-10,12-13,15,17H,4,14H2,1-3H3
- InChI Key
- FTLGLKKAVPEDNW-UHFFFAOYSA-N
- Formula
- C20H22O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)c1cccc2ccc
cc12 - Molecular Weight1
- 294.39
- 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° | 290.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -23.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.22 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 4.825 | Crippen Calculated Property | |
| McVol | 248.280 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [2229.00; 2229.00] |
|
|
| Inp | 2229.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Tboil | 792.05 | K | Joback Calculated Property |
| Tc | 1025.31 | K | Joback Calculated Property |
| Tfus | 535.06 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.45; 793.72] | J/mol×K | [792.05; 1025.31] |
|
| Cp,gas | 709.45 | J/mol×K | 792.05 | Joback Calculated Property |
| Cp,gas | 726.22 | J/mol×K | 830.93 | Joback Calculated Property |
| Cp,gas | 741.79 | J/mol×K | 869.80 | Joback Calculated Property |
| Cp,gas | 756.25 | J/mol×K | 908.68 | Joback Calculated Property |
| Cp,gas | 769.67 | J/mol×K | 947.56 | Joback Calculated Property |
| Cp,gas | 782.13 | J/mol×K | 986.44 | Joback Calculated Property |
| Cp,gas | 793.72 | J/mol×K | 1025.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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