- InChI
- InChI=1S/C17H20O2/c1-2-3-6-12-19-17(18)13-15-10-7-9-14-8-4-5-11-16(14)15/h4-5,7-11H,2-3,6,12-13H2,1H3
- InChI Key
- WTHHZUCMGNXCPB-UHFFFAOYSA-N
- Formula
- C17H20O2
- SMILES
- CCCCCOC(=O)Cc1cccc2ccccc12
- Molecular Weight1
- 256.34
- 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° | 67.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.17 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.116 | Crippen Calculated Property | |
| McVol | 214.610 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | [2075.00; 2075.00] |
|
|
| Inp | 2075.00 | NIST | |
| Inp | 2075.00 | NIST | |
| Tboil | 715.29 | K | Joback Calculated Property |
| Tc | 930.24 | K | Joback Calculated Property |
| Tfus | 425.15 | K | Joback Calculated Property |
| Vc | 0.826 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.52; 671.58] | J/mol×K | [715.29; 930.24] |
|
| Cp,gas | 590.52 | J/mol×K | 715.29 | Joback Calculated Property |
| Cp,gas | 606.42 | J/mol×K | 751.11 | Joback Calculated Property |
| Cp,gas | 621.28 | J/mol×K | 786.94 | Joback Calculated Property |
| Cp,gas | 635.17 | J/mol×K | 822.76 | Joback Calculated Property |
| Cp,gas | 648.14 | J/mol×K | 858.59 | Joback Calculated Property |
| Cp,gas | 660.26 | J/mol×K | 894.41 | Joback Calculated Property |
| Cp,gas | 671.58 | J/mol×K | 930.24 | Joback Calculated Property |
| η | [0.0001959; 0.0012762] | Pa×s | [425.15; 715.29] |
|
| η | 0.0012762 | Pa×s | 425.15 | Joback Calculated Property |
| η | 0.0007962 | Pa×s | 473.51 | Joback Calculated Property |
| η | 0.0005422 | Pa×s | 521.86 | Joback Calculated Property |
| η | 0.0003940 | Pa×s | 570.22 | Joback Calculated Property |
| η | 0.0003010 | Pa×s | 618.58 | Joback Calculated Property |
| η | 0.0002391 | Pa×s | 666.93 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 715.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, pentyl ester.
Sources
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