- InChI
- InChI=1S/C16H12O2/c1-2-3-6-12-18-16(17)15-11-7-9-13-8-4-5-10-14(13)15/h1,3-11H,12H2
- InChI Key
- GFQDQLYAGSQRIW-UHFFFAOYSA-N
- Formula
- C16H12O2
- SMILES
- C#CC=CCOC(=O)c1cccc2ccccc12
- Molecular Weight1
- 236.27
- 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 | 0.5311 | Relay (... Calculated Property | |
| ΔfG° | 362.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.25 | eV | Relay (... Calculated Property |
| log10WS | -4.77 | Relay (... Calculated Property | |
| logPoct/wat | 3.186 | Crippen Calculated Property | |
| McVol | 187.620 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Inp | 2016.00 | NIST | |
| Tboil | 627.62 | K | Relay (... Calculated Property |
| Tc | 894.14 | K | Relay (... Calculated Property |
| Tfus | 355.70 | K | Relay (... Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.08; 536.03] | J/mol×K | [686.69; 928.56] | 
|
| Cp,gas | 467.08 | J/mol×K | 686.69 | Joback Calculated Property |
| Cp,gas | 480.86 | J/mol×K | 727.00 | Joback Calculated Property |
| Cp,gas | 493.59 | J/mol×K | 767.31 | Joback Calculated Property |
| Cp,gas | 505.36 | J/mol×K | 807.62 | Joback Calculated Property |
| Cp,gas | 516.29 | J/mol×K | 847.94 | Joback Calculated Property |
| Cp,gas | 526.48 | J/mol×K | 888.25 | Joback Calculated Property |
| Cp,gas | 536.03 | J/mol×K | 928.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, pent-2-en-4-ynyl ester.
Sources
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