- InChI
- InChI=1S/C21H22O2/c1-15(2)12-13-18(14-16(3)4)23-21(22)20-11-7-9-17-8-5-6-10-19(17)20/h5-11,16,18H,1,14H2,2-4H3
- InChI Key
- YWDNWKDCBRGVGC-UHFFFAOYSA-N
- Formula
- C21H22O2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
2ccccc12 - Molecular Weight1
- 306.40
- 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° | 378.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 71.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.86 | kJ/mol | Joback Calculated Property |
| log10WS | -6.80 | Crippen Calculated Property | |
| logPoct/wat | 4.991 | Crippen Calculated Property | |
| McVol | 258.070 | ml/mol | McGowan Calculated Property |
| Pc | 1730.34 | kPa | Joback Calculated Property |
| Inp | 2277.00 | NIST | |
| Tboil | 811.49 | K | Joback Calculated Property |
| Tc | 1048.16 | K | Joback Calculated Property |
| Tfus | 530.61 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.38; 823.43] | J/mol×K | [811.49; 1048.16] | 
|
| Cp,gas | 739.38 | J/mol×K | 811.49 | Joback Calculated Property |
| Cp,gas | 756.04 | J/mol×K | 850.93 | Joback Calculated Property |
| Cp,gas | 771.52 | J/mol×K | 890.38 | Joback Calculated Property |
| Cp,gas | 785.90 | J/mol×K | 929.82 | Joback Calculated Property |
| Cp,gas | 799.29 | J/mol×K | 969.27 | Joback Calculated Property |
| Cp,gas | 811.76 | J/mol×K | 1008.71 | Joback Calculated Property |
| Cp,gas | 823.43 | J/mol×K | 1048.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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