- InChI
- InChI=1S/C16H18O2/c1-11(2)12(3)18-16(17)15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3
- InChI Key
- PQKGZEVLVXYLPG-UHFFFAOYSA-N
- Formula
- C16H18O2
- SMILES
- CC(C)C(C)OC(=O)c1cccc2ccccc12
- Molecular Weight1
- 242.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 54.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.041 | Crippen Calculated Property | |
| McVol | 200.520 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | 1964.00 | NIST | |
| Tboil | 691.53 | K | Joback Calculated Property |
| Tc | 918.18 | K | Joback Calculated Property |
| Tfus | 383.88 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.11; 619.53] | J/mol×K | [691.53; 918.18] | 
|
| Cp,gas | 538.11 | J/mol×K | 691.53 | Joback Calculated Property |
| Cp,gas | 554.29 | J/mol×K | 729.31 | Joback Calculated Property |
| Cp,gas | 569.34 | J/mol×K | 767.08 | Joback Calculated Property |
| Cp,gas | 583.33 | J/mol×K | 804.86 | Joback Calculated Property |
| Cp,gas | 596.31 | J/mol×K | 842.63 | Joback Calculated Property |
| Cp,gas | 608.36 | J/mol×K | 880.41 | Joback Calculated Property |
| Cp,gas | 619.53 | J/mol×K | 918.18 | Joback Calculated Property |
| η | [0.0001850; 0.0017631] | Pa×s | [383.88; 691.53] |
|
| η | 0.0017631 | Pa×s | 383.88 | Joback Calculated Property |
| η | 0.0009703 | Pa×s | 435.15 | Joback Calculated Property |
| η | 0.0006057 | Pa×s | 486.43 | Joback Calculated Property |
| η | 0.0004136 | Pa×s | 537.70 | Joback Calculated Property |
| η | 0.0003019 | Pa×s | 588.98 | Joback Calculated Property |
| η | 0.0002317 | Pa×s | 640.25 | Joback Calculated Property |
| η | 0.0001850 | Pa×s | 691.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 3-methylbut-2-yl ester.
Sources
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