- InChI
- InChI=1S/C16H16O3/c1-11-8-12(2)10-13(9-11)19-16(17)14-6-4-5-7-15(14)18-3/h4-10H,1-3H3
- InChI Key
- MXRXHWVGEIRHMR-UHFFFAOYSA-N
- Formula
- C16H16O3
- SMILES
- COc1ccccc1C(=O)Oc1cc(C)cc(C)c1
- Molecular Weight1
- 256.30
- 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° | -59.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.531 | Crippen Calculated Property | |
| McVol | 202.090 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | 2061.00 | NIST | |
| Tboil | 732.49 | K | Joback Calculated Property |
| Tc | 964.63 | K | Joback Calculated Property |
| Tfus | 454.87 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.39; 616.78] | J/mol×K | [732.49; 964.63] | 
|
| Cp,gas | 542.39 | J/mol×K | 732.49 | Joback Calculated Property |
| Cp,gas | 557.61 | J/mol×K | 771.18 | Joback Calculated Property |
| Cp,gas | 571.68 | J/mol×K | 809.87 | Joback Calculated Property |
| Cp,gas | 584.61 | J/mol×K | 848.56 | Joback Calculated Property |
| Cp,gas | 596.44 | J/mol×K | 887.25 | Joback Calculated Property |
| Cp,gas | 607.15 | J/mol×K | 925.94 | Joback Calculated Property |
| Cp,gas | 616.78 | J/mol×K | 964.63 | Joback Calculated Property |
| η | [0.0000954; 0.0006069] | Pa×s | [454.87; 732.49] |
|
| η | 0.0006069 | Pa×s | 454.87 | Joback Calculated Property |
| η | 0.0003867 | Pa×s | 501.14 | Joback Calculated Property |
| η | 0.0002659 | Pa×s | 547.41 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 593.68 | Joback Calculated Property |
| η | 0.0001479 | Pa×s | 639.95 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 686.22 | Joback Calculated Property |
| η | 0.0000954 | Pa×s | 732.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, 3,5-dimethylphenyl ester.
Sources
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