- InChI
- InChI=1S/C19H24O2/c1-6-9-16(5)18(13-12-14(2)3)21-19(20)17-11-8-7-10-15(17)4/h7-8,10-11,16,18H,2,6,9H2,1,3-5H3
- InChI Key
- QBRFVKAVLNIFSW-UHFFFAOYSA-N
- Formula
- C19H24O2
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccccc1C)C(C
)CCC - Molecular Weight1
- 284.39
- Other Names
-
- o-toluylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 255.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 4.536 | Crippen Calculated Property | |
| McVol | 249.350 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | 1932.40 | NIST | |
| Tboil | 746.75 | K | Joback Calculated Property |
| Tc | 967.62 | K | Joback Calculated Property |
| Tfus | 475.37 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.60; 786.60] | J/mol×K | [746.75; 967.62] | 
|
| Cp,gas | 696.60 | J/mol×K | 746.75 | Joback Calculated Property |
| Cp,gas | 714.39 | J/mol×K | 783.56 | Joback Calculated Property |
| Cp,gas | 731.01 | J/mol×K | 820.37 | Joback Calculated Property |
| Cp,gas | 746.49 | J/mol×K | 857.19 | Joback Calculated Property |
| Cp,gas | 760.89 | J/mol×K | 894.00 | Joback Calculated Property |
| Cp,gas | 774.24 | J/mol×K | 930.81 | Joback Calculated Property |
| Cp,gas | 786.60 | J/mol×K | 967.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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