- InChI
- InChI=1S/C16H18O2/c1-12(2)11-18-16(17)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,12H,10-11H2,1-2H3
- InChI Key
- AQLLHLGWSOYTKT-UHFFFAOYSA-N
- Formula
- C16H18O2
- SMILES
- CC(C)COC(=O)Cc1cccc2ccccc12
- 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° | 56.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 200.520 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | [1931.00; 1931.00] |
|
|
| Inp | 1931.00 | NIST | |
| Inp | 1931.00 | NIST | |
| Tboil | 691.97 | K | Joback Calculated Property |
| Tc | 914.36 | K | Joback Calculated Property |
| Tfus | 398.88 | K | Joback Calculated Property |
| Vc | 0.763 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.59; 617.76] | J/mol×K | [691.97; 914.36] |
|
| Cp,gas | 537.59 | J/mol×K | 691.97 | Joback Calculated Property |
| Cp,gas | 553.44 | J/mol×K | 729.03 | Joback Calculated Property |
| Cp,gas | 568.21 | J/mol×K | 766.10 | Joback Calculated Property |
| Cp,gas | 581.97 | J/mol×K | 803.16 | Joback Calculated Property |
| Cp,gas | 594.78 | J/mol×K | 840.23 | Joback Calculated Property |
| Cp,gas | 606.69 | J/mol×K | 877.29 | Joback Calculated Property |
| Cp,gas | 617.76 | J/mol×K | 914.36 | Joback Calculated Property |
| η | [0.0001999; 0.0015154] | Pa×s | [398.88; 691.97] |
|
| η | 0.0015154 | Pa×s | 398.88 | Joback Calculated Property |
| η | 0.0008993 | Pa×s | 447.73 | Joback Calculated Property |
| η | 0.0005914 | Pa×s | 496.58 | Joback Calculated Property |
| η | 0.0004192 | Pa×s | 545.42 | Joback Calculated Property |
| η | 0.0003145 | Pa×s | 594.27 | Joback Calculated Property |
| η | 0.0002464 | Pa×s | 643.12 | Joback Calculated Property |
| η | 0.0001999 | Pa×s | 691.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, isobutyl ester.
Sources
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