- InChI
- InChI=1S/C17H16O2/c1-3-8-14(4-2)19-17(18)16-12-7-10-13-9-5-6-11-15(13)16/h5-7,9-12,14H,4H2,1-2H3
- InChI Key
- FXZIUEILTHGESM-UHFFFAOYSA-N
- Formula
- C17H16O2
- SMILES
- CC#CC(CC)OC(=O)c1cccc2ccccc12
- Molecular Weight1
- 252.31
- 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 | 0.5592 | Relay (1.0) Calculated Property | |
| ΔfG° | 268.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.798 | Crippen Calculated Property | |
| McVol | 206.010 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | 2040.00 | NIST | |
| Tboil | 619.56 | K | Relay (1.0) Calculated Property |
| Tc | 872.89 | K | Relay (1.0) Calculated Property |
| Tfus | 326.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.59; 622.65] | J/mol×K | [723.85; 966.09] | 
|
| Cp,gas | 544.59 | J/mol×K | 723.85 | Joback Calculated Property |
| Cp,gas | 560.23 | J/mol×K | 764.22 | Joback Calculated Property |
| Cp,gas | 574.72 | J/mol×K | 804.60 | Joback Calculated Property |
| Cp,gas | 588.14 | J/mol×K | 844.97 | Joback Calculated Property |
| Cp,gas | 600.55 | J/mol×K | 885.34 | Joback Calculated Property |
| Cp,gas | 612.02 | J/mol×K | 925.72 | Joback Calculated Property |
| Cp,gas | 622.65 | J/mol×K | 966.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, hex-4-yn-3-yl ester.
Sources
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