- InChI
- InChI=1S/C12H14O3/c1-4-9(2)12(13)15-11-8-6-5-7-10(11)14-3/h4-8H,1-3H3/b9-4+
- InChI Key
- MNXOFCMTJXDHDP-RUDMXATFSA-N
- Formula
- C12H14O3
- SMILES
- CC=C(C)C(=O)Oc1ccccc1OC
- Molecular Weight1
- 206.24
- 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).
- I : 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 | 0.5850 | Relay (... Calculated Property | |
| ΔfG° | -114.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.02 | eV | Relay (... Calculated Property |
| log10WS | -2.89 | Relay (... Calculated Property | |
| logPoct/wat | 2.567 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| I | 2333.00 | NIST | |
| Tboil | 542.93 | K | Relay (... Calculated Property |
| Tc | 760.56 | K | Relay (... Calculated Property |
| Tfus | 312.39 | K | Relay (... Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.54; 472.29] | J/mol×K | [608.37; 825.53] | 
|
| Cp,gas | 398.54 | J/mol×K | 608.37 | Joback Calculated Property |
| Cp,gas | 412.85 | J/mol×K | 644.56 | Joback Calculated Property |
| Cp,gas | 426.33 | J/mol×K | 680.76 | Joback Calculated Property |
| Cp,gas | 439.00 | J/mol×K | 716.95 | Joback Calculated Property |
| Cp,gas | 450.87 | J/mol×K | 753.14 | Joback Calculated Property |
| Cp,gas | 461.96 | J/mol×K | 789.34 | Joback Calculated Property |
| Cp,gas | 472.29 | J/mol×K | 825.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Guaiacyl tiglate.
Sources
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