- InChI
- InChI=1S/C15H18O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h5-8,10,14H,1-4H3/b9-5+
- InChI Key
- SRKAZFSLCLSHPY-WEVVVXLNSA-N
- Formula
- C15H18O4
- SMILES
-
CC=C(C)C(=O)Oc1ccc(OC)cc1C1OC1
C - Molecular Weight1
- 262.30
- Other Names
-
- 4-Methoxy-2-(3-methyloxiranyl)phenyl tiglate (=epoxypseudoisoeugenyl tiglate)
- 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 | 0.6669 | Relay (... Calculated Property | |
| ΔfG° | -131.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.55 | kJ/mol | Relay (... Calculated Property |
| IE | 8.12 | eV | Relay (... Calculated Property |
| log10WS | -2.84 | Relay (... Calculated Property | |
| logPoct/wat | 3.027 | Crippen Calculated Property | |
| McVol | 202.470 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| I | [2926.00; 2926.00] |
|
|
| I | 2926.00 | NIST | |
| I | 2926.00 | NIST | |
| I | 2926.00 | NIST | |
| I | 2926.00 | NIST | |
| Tboil | 596.27 | K | Relay (... Calculated Property |
| Tc | 817.41 | K | Relay (... Calculated Property |
| Tfus | 341.06 | K | Relay (... Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.64; 650.37] | J/mol×K | [711.01; 929.75] |
|
| Cp,gas | 569.64 | J/mol×K | 711.01 | Joback Calculated Property |
| Cp,gas | 585.49 | J/mol×K | 747.47 | Joback Calculated Property |
| Cp,gas | 600.34 | J/mol×K | 783.92 | Joback Calculated Property |
| Cp,gas | 614.20 | J/mol×K | 820.38 | Joback Calculated Property |
| Cp,gas | 627.14 | J/mol×K | 856.84 | Joback Calculated Property |
| Cp,gas | 639.18 | J/mol×K | 893.29 | Joback Calculated Property |
| Cp,gas | 650.37 | J/mol×K | 929.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxy-2-(3-methyloxiranyl)-phenyl tiglate.
Sources
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