- InChI
- InChI=1S/C21H20O2/c1-2-20(18-9-4-3-5-10-18)21(22)23-15-16-12-13-17-8-6-7-11-19(17)14-16/h3-14,20H,2,15H2,1H3
- InChI Key
- REMBVPSKNNWYIO-UHFFFAOYSA-N
- Formula
- C21H20O2
- SMILES
-
CCC(C(=O)OCc1ccc2ccccc2c1)c1cc
ccc1 - Molecular Weight1
- 304.38
- 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° | 211.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.27 | Crippen Calculated Property | |
| logPoct/wat | 5.077 | Crippen Calculated Property | |
| McVol | 247.210 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Inp | [2527.00; 2527.00] |
|
|
| Inp | 2527.00 | NIST | |
| Inp | 2527.00 | NIST | |
| Tboil | 833.05 | K | Joback Calculated Property |
| Tc | 1074.53 | K | Joback Calculated Property |
| Tfus | 481.65 | K | Joback Calculated Property |
| Vc | 0.935 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.60; 800.01] | J/mol×K | [833.05; 1074.53] |
|
| Cp,gas | 722.60 | J/mol×K | 833.05 | Joback Calculated Property |
| Cp,gas | 738.27 | J/mol×K | 873.30 | Joback Calculated Property |
| Cp,gas | 752.68 | J/mol×K | 913.54 | Joback Calculated Property |
| Cp,gas | 765.95 | J/mol×K | 953.79 | Joback Calculated Property |
| Cp,gas | 778.19 | J/mol×K | 994.03 | Joback Calculated Property |
| Cp,gas | 789.51 | J/mol×K | 1034.28 | Joback Calculated Property |
| Cp,gas | 800.01 | J/mol×K | 1074.53 | Joback Calculated Property |
| η | [0.0001197; 0.0009897] | Pa×s | [481.65; 833.05] |
|
| η | 0.0009897 | Pa×s | 481.65 | Joback Calculated Property |
| η | 0.0005751 | Pa×s | 540.22 | Joback Calculated Property |
| η | 0.0003716 | Pa×s | 598.78 | Joback Calculated Property |
| η | 0.0002596 | Pa×s | 657.35 | Joback Calculated Property |
| η | 0.0001923 | Pa×s | 715.92 | Joback Calculated Property |
| η | 0.0001490 | Pa×s | 774.48 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 833.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, naphth-2-ylmethyl ester.
Sources
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