- InChI
- InChI=1S/C20H26O2/c1-15(13-20(2,3)4)11-19(21)22-14-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12,15H,11,13-14H2,1-4H3
- InChI Key
- DBBYBEREQVMNDW-UHFFFAOYSA-N
- Formula
- C20H26O2
- SMILES
-
CC(CC(=O)OCc1ccc2ccccc2c1)CC(C
)(C)C - Molecular Weight1
- 298.42
- 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° | 93.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.16 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 5.345 | Crippen Calculated Property | |
| McVol | 256.880 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | [2292.00; 2292.00] |
|
|
| Inp | 2292.00 | NIST | |
| Inp | 2292.00 | NIST | |
| Tboil | 780.26 | K | Joback Calculated Property |
| Tc | 1000.01 | K | Joback Calculated Property |
| Tfus | 446.38 | K | Joback Calculated Property |
| Vc | 0.977 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.86; 848.33] | J/mol×K | [780.26; 1000.01] |
|
| Cp,gas | 759.86 | J/mol×K | 780.26 | Joback Calculated Property |
| Cp,gas | 777.22 | J/mol×K | 816.89 | Joback Calculated Property |
| Cp,gas | 793.41 | J/mol×K | 853.51 | Joback Calculated Property |
| Cp,gas | 808.52 | J/mol×K | 890.14 | Joback Calculated Property |
| Cp,gas | 822.65 | J/mol×K | 926.76 | Joback Calculated Property |
| Cp,gas | 835.89 | J/mol×K | 963.39 | Joback Calculated Property |
| Cp,gas | 848.33 | J/mol×K | 1000.01 | Joback Calculated Property |
| η | [0.0001051; 0.0011825] | Pa×s | [446.38; 780.26] |
|
| η | 0.0011825 | Pa×s | 446.38 | Joback Calculated Property |
| η | 0.0006317 | Pa×s | 502.03 | Joback Calculated Property |
| η | 0.0003824 | Pa×s | 557.67 | Joback Calculated Property |
| η | 0.0002536 | Pa×s | 613.32 | Joback Calculated Property |
| η | 0.0001801 | Pa×s | 668.97 | Joback Calculated Property |
| η | 0.0001348 | Pa×s | 724.61 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 780.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, naphth-2-ylmethyl ester.
Sources
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