- InChI
- InChI=1S/C19H24O3/c1-6-9-15(4)17(13-12-14(2)3)22-19(20)16-10-7-8-11-18(16)21-5/h7-8,10-11,15,17H,2,6,9H2,1,3-5H3
- InChI Key
- LXJUYCMXZBQAQI-UHFFFAOYSA-N
- Formula
- C19H24O3
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccccc1OC)C(
C)CCC - Molecular Weight1
- 300.39
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6600 | Relay (... Calculated Property | |
| ΔfG° | 150.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.25 | eV | Relay (... Calculated Property |
| log10WS | -4.90 | Relay (... Calculated Property | |
| logPoct/wat | 4.236 | Crippen Calculated Property | |
| McVol | 255.220 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| Inp | 2063.90 | NIST | |
| Tboil | 603.04 | K | Relay (... Calculated Property |
| Tc | 811.58 | K | Relay (... Calculated Property |
| Tfus | 298.91 | K | Relay (... Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.20; 811.56] | J/mol×K | [769.17; 987.91] | 
|
| Cp,gas | 725.20 | J/mol×K | 769.17 | Joback Calculated Property |
| Cp,gas | 742.46 | J/mol×K | 805.63 | Joback Calculated Property |
| Cp,gas | 758.54 | J/mol×K | 842.08 | Joback Calculated Property |
| Cp,gas | 773.46 | J/mol×K | 878.54 | Joback Calculated Property |
| Cp,gas | 787.25 | J/mol×K | 914.99 | Joback Calculated Property |
| Cp,gas | 799.94 | J/mol×K | 951.45 | Joback Calculated Property |
| Cp,gas | 811.56 | J/mol×K | 987.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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