- InChI
- InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-11-15-22-19(20)17-13-12-14-18(16-17)21-2/h10-14,16H,3-9,15H2,1-2H3/b11-10+
- InChI Key
- VAGYOTSVLFBXDK-ZHACJKMWSA-N
- Formula
- C19H28O3
- SMILES
-
CCCCCCCC/C=C/COC(=O)c1cccc(OC)
c1 - Molecular Weight1
- 304.43
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -519.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.159 | Crippen Calculated Property | |
| McVol | 263.820 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | 2338.40 | NIST | |
| Tboil | 624.37 | K | Relay (1.0) Calculated Property |
| Tfus | 269.76 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [766.86; 855.33] | J/mol×K | [750.78; 945.56] | 
|
| Cp,gas | 766.86 | J/mol×K | 750.78 | Joback Calculated Property |
| Cp,gas | 784.12 | J/mol×K | 783.24 | Joback Calculated Property |
| Cp,gas | 800.34 | J/mol×K | 815.71 | Joback Calculated Property |
| Cp,gas | 815.53 | J/mol×K | 848.17 | Joback Calculated Property |
| Cp,gas | 829.74 | J/mol×K | 880.63 | Joback Calculated Property |
| Cp,gas | 843.00 | J/mol×K | 913.10 | Joback Calculated Property |
| Cp,gas | 855.33 | J/mol×K | 945.56 | Joback Calculated Property |
| η | [0.0000496; 0.0009623] | Pa×s | [402.31; 750.78] |
|
| η | 0.0009623 | Pa×s | 402.31 | Joback Calculated Property |
| η | 0.0004299 | Pa×s | 460.39 | Joback Calculated Property |
| η | 0.0002300 | Pa×s | 518.47 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 576.55 | Joback Calculated Property |
| η | 0.0000929 | Pa×s | 634.62 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 692.70 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 750.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-anisic acid, undec-2-enyl ester.
Sources
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