- InChI
- InChI=1S/C16H22O3/c1-4-5-6-7-9-13(2)19-16(17)14-10-8-11-15(12-14)18-3/h7-13H,4-6H2,1-3H3/b9-7+
- InChI Key
- ILFVQCDACZZNIV-VQHVLOKHSA-N
- Formula
- C16H22O3
- SMILES
-
CCCC/C=C/C(C)OC(=O)c1cccc(OC)c
1 - Molecular Weight1
- 262.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -481.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.987 | Crippen Calculated Property | |
| McVol | 221.550 | ml/mol | McGowan Calculated Property |
| Inp | [1932.80; 1932.80] |
|
|
| Inp | 1932.80 | NIST | |
| Inp | 1932.80 | NIST | |
| Tboil | 581.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.18; 685.75] | J/mol×K | [681.70; 884.66] |
|
| Cp,gas | 600.18 | J/mol×K | 681.70 | Joback Calculated Property |
| Cp,gas | 616.90 | J/mol×K | 715.53 | Joback Calculated Property |
| Cp,gas | 632.60 | J/mol×K | 749.35 | Joback Calculated Property |
| Cp,gas | 647.31 | J/mol×K | 783.18 | Joback Calculated Property |
| Cp,gas | 661.06 | J/mol×K | 817.00 | Joback Calculated Property |
| Cp,gas | 673.86 | J/mol×K | 850.83 | Joback Calculated Property |
| Cp,gas | 685.75 | J/mol×K | 884.66 | Joback Calculated Property |
| η | [0.0000671; 0.0015930] | Pa×s | [353.50; 681.70] |
|
| η | 0.0015930 | Pa×s | 353.50 | Joback Calculated Property |
| η | 0.0006598 | Pa×s | 408.20 | Joback Calculated Property |
| η | 0.0003366 | Pa×s | 462.90 | Joback Calculated Property |
| η | 0.0001980 | Pa×s | 517.60 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 572.30 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 627.00 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 681.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-anisic acid, oct-3-en-2-yl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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