- InChI
- InChI=1S/C16H14O2/c1-3-12(2)18-16(17)11-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-10,12H,11H2,2H3
- InChI Key
- RSKPBRCHCWXUPN-UHFFFAOYSA-N
- Formula
- C16H14O2
- SMILES
- C#CC(C)OC(=O)Cc1cccc2ccccc12
- Molecular Weight1
- 238.28
- 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 | 0.5176 | Relay (1.0) Calculated Property | |
| ΔfG° | 279.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.947 | Crippen Calculated Property | |
| McVol | 191.920 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | [2380.00; 2380.00] |
|
|
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tboil | 607.87 | K | Relay (1.0) Calculated Property |
| Tc | 861.70 | K | Relay (1.0) Calculated Property |
| Tfus | 336.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.63; 564.30] | J/mol×K | [682.09; 919.12] |
|
| Cp,gas | 490.63 | J/mol×K | 682.09 | Joback Calculated Property |
| Cp,gas | 505.38 | J/mol×K | 721.59 | Joback Calculated Property |
| Cp,gas | 519.04 | J/mol×K | 761.10 | Joback Calculated Property |
| Cp,gas | 531.69 | J/mol×K | 800.60 | Joback Calculated Property |
| Cp,gas | 543.39 | J/mol×K | 840.11 | Joback Calculated Property |
| Cp,gas | 554.23 | J/mol×K | 879.61 | Joback Calculated Property |
| Cp,gas | 564.30 | J/mol×K | 919.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, but-3-yn-2-yl ester.
Sources
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