- InChI
- InChI=1S/C16H18O2/c1-2-3-11-18-16(17)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3
- InChI Key
- ONFNCARYSQWBPI-UHFFFAOYSA-N
- Formula
- C16H18O2
- SMILES
- CCCCOC(=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° | 59.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.726 | Crippen Calculated Property | |
| McVol | 200.520 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Inp | [1979.00; 1979.00] |
|
|
| Inp | 1979.00 | NIST | |
| Inp | 1979.00 | NIST | |
| Tboil | 692.41 | K | Joback Calculated Property |
| Tc | 910.70 | K | Joback Calculated Property |
| Tfus | 413.88 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.07; 616.03] | J/mol×K | [692.41; 910.70] |
|
| Cp,gas | 537.07 | J/mol×K | 692.41 | Joback Calculated Property |
| Cp,gas | 552.60 | J/mol×K | 728.79 | Joback Calculated Property |
| Cp,gas | 567.11 | J/mol×K | 765.17 | Joback Calculated Property |
| Cp,gas | 580.65 | J/mol×K | 801.56 | Joback Calculated Property |
| Cp,gas | 593.27 | J/mol×K | 837.94 | Joback Calculated Property |
| Cp,gas | 605.05 | J/mol×K | 874.32 | Joback Calculated Property |
| Cp,gas | 616.03 | J/mol×K | 910.70 | Joback Calculated Property |
| η | [0.0002160; 0.0013297] | Pa×s | [413.88; 692.41] |
|
| η | 0.0013297 | Pa×s | 413.88 | Joback Calculated Property |
| η | 0.0008431 | Pa×s | 460.30 | Joback Calculated Property |
| η | 0.0005811 | Pa×s | 506.72 | Joback Calculated Property |
| η | 0.0004263 | Pa×s | 553.14 | Joback Calculated Property |
| η | 0.0003282 | Pa×s | 599.57 | Joback Calculated Property |
| η | 0.0002623 | Pa×s | 645.99 | Joback Calculated Property |
| η | 0.0002160 | Pa×s | 692.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, butyl ester.
Sources
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