- InChI
- InChI=1S/C19H22O3/c1-3-7-15(2)19(20)22-18-12-10-17(11-13-18)21-14-16-8-5-4-6-9-16/h4-6,8-13,15H,3,7,14H2,1-2H3
- InChI Key
- QRXHTIGWKVQUAF-UHFFFAOYSA-N
- Formula
- C19H22O3
- SMILES
-
CCCC(C)C(=O)Oc1ccc(OCc2ccccc2)
cc1 - Molecular Weight1
- 298.38
- 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° | -17.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 4.607 | Crippen Calculated Property | |
| McVol | 244.360 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Inp | [2431.00; 2431.00] |
|
|
| Inp | 2431.00 | NIST | |
| Inp | 2431.00 | NIST | |
| Tboil | 790.73 | K | Joback Calculated Property |
| Tc | 1014.28 | K | Joback Calculated Property |
| Tfus | 448.64 | K | Joback Calculated Property |
| Vc | 0.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.10; 789.84] | J/mol×K | [790.73; 1014.28] |
|
| Cp,gas | 710.10 | J/mol×K | 790.73 | Joback Calculated Property |
| Cp,gas | 726.50 | J/mol×K | 827.99 | Joback Calculated Property |
| Cp,gas | 741.60 | J/mol×K | 865.25 | Joback Calculated Property |
| Cp,gas | 755.44 | J/mol×K | 902.51 | Joback Calculated Property |
| Cp,gas | 768.08 | J/mol×K | 939.76 | Joback Calculated Property |
| Cp,gas | 779.53 | J/mol×K | 977.02 | Joback Calculated Property |
| Cp,gas | 789.84 | J/mol×K | 1014.28 | Joback Calculated Property |
| η | [0.0000605; 0.0007740] | Pa×s | [448.64; 790.73] |
|
| η | 0.0007740 | Pa×s | 448.64 | Joback Calculated Property |
| η | 0.0003983 | Pa×s | 505.66 | Joback Calculated Property |
| η | 0.0002345 | Pa×s | 562.67 | Joback Calculated Property |
| η | 0.0001522 | Pa×s | 619.69 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 676.70 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 733.72 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 790.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylvaleric acid, 4-benzyloxyphenyl ester.
Sources
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