- InChI
- InChI=1S/C17H20O2/c1-12(2)13(3)19-17(18)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12-13H,11H2,1-3H3
- InChI Key
- CDIGFHPWOZKBCI-UHFFFAOYSA-N
- Formula
- C17H20O2
- SMILES
- CC(C)C(C)OC(=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° | 62.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.970 | Crippen Calculated Property | |
| McVol | 214.610 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [2476.00; 2476.00] |
|
|
| Inp | 2476.00 | NIST | |
| Inp | 2476.00 | NIST | |
| Tboil | 714.41 | K | Joback Calculated Property |
| Tc | 937.14 | K | Joback Calculated Property |
| Tfus | 395.15 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.58; 674.96] | J/mol×K | [714.41; 937.14] |
|
| Cp,gas | 591.58 | J/mol×K | 714.41 | Joback Calculated Property |
| Cp,gas | 608.09 | J/mol×K | 751.53 | Joback Calculated Property |
| Cp,gas | 623.47 | J/mol×K | 788.65 | Joback Calculated Property |
| Cp,gas | 637.78 | J/mol×K | 825.77 | Joback Calculated Property |
| Cp,gas | 651.09 | J/mol×K | 862.90 | Joback Calculated Property |
| Cp,gas | 663.46 | J/mol×K | 900.02 | Joback Calculated Property |
| Cp,gas | 674.96 | J/mol×K | 937.14 | Joback Calculated Property |
| η | [0.0001672; 0.0016788] | Pa×s | [395.15; 714.41] |
|
| η | 0.0016788 | Pa×s | 395.15 | Joback Calculated Property |
| η | 0.0009098 | Pa×s | 448.36 | Joback Calculated Property |
| η | 0.0005615 | Pa×s | 501.57 | Joback Calculated Property |
| η | 0.0003802 | Pa×s | 554.78 | Joback Calculated Property |
| η | 0.0002756 | Pa×s | 607.99 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 661.20 | Joback Calculated Property |
| η | 0.0001672 | Pa×s | 714.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, 3-methylbut-2-yl ester.
Sources
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