- InChI
- InChI=1S/C16H22O2/c1-4-5-6-7-10-14(3)18-16(17)15-11-8-9-13(2)12-15/h7-12,14H,4-6H2,1-3H3/b10-7+
- InChI Key
- LZHUDNPJQUBRGF-JXMROGBWSA-N
- Formula
- C16H22O2
- SMILES
- CCCCC=CC(C)OC(=O)c1cccc(C)c1
- Molecular Weight1
- 246.34
- Other Names
-
- m-toluylic acid, oct-3-en-2-yl ester
- 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° | 30.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.287 | Crippen Calculated Property | |
| McVol | 215.680 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [1797.40; 1797.40] |
|
|
| Inp | 1797.40 | NIST | |
| Inp | 1797.40 | NIST | |
| Tboil | 677.15 | K | Joback Calculated Property |
| Tc | 883.85 | K | Joback Calculated Property |
| Tfus | 361.10 | K | Joback Calculated Property |
| Vc | 0.822 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.07; 665.00] | J/mol×K | [677.15; 883.85] |
|
| Cp,gas | 578.07 | J/mol×K | 677.15 | Joback Calculated Property |
| Cp,gas | 594.92 | J/mol×K | 711.60 | Joback Calculated Property |
| Cp,gas | 610.77 | J/mol×K | 746.05 | Joback Calculated Property |
| Cp,gas | 625.67 | J/mol×K | 780.50 | Joback Calculated Property |
| Cp,gas | 639.64 | J/mol×K | 814.95 | Joback Calculated Property |
| Cp,gas | 652.74 | J/mol×K | 849.40 | Joback Calculated Property |
| Cp,gas | 665.00 | J/mol×K | 883.85 | Joback Calculated Property |
| η | [0.0000966; 0.0016206] | Pa×s | [361.10; 677.15] |
|
| η | 0.0016206 | Pa×s | 361.10 | Joback Calculated Property |
| η | 0.0007510 | Pa×s | 413.78 | Joback Calculated Property |
| η | 0.0004141 | Pa×s | 466.45 | Joback Calculated Property |
| η | 0.0002576 | Pa×s | 519.12 | Joback Calculated Property |
| η | 0.0001749 | Pa×s | 571.80 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 624.48 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 677.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Toluic acid, oct-3-en-2-yl ester.
Sources
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