- InChI
- InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
- InChI Key
- SCCDQYPEOIRVGX-UHFFFAOYSA-N
- Formula
- C12H14O3
- SMILES
- C=CCc1ccc(OC(C)=O)c(OC)c1
- Molecular Weight1
- 206.24
- CAS
- 93-28-7
- Other Names
-
- Phenol, 4-allyl-2-methoxy-, acetate
- Aceteugenol
- Acetyleugenol
- Eugenol acetate
- Eugenyl acetate
- 1,3,4-Eugenol acetate
- Aceto eugenol
- 1-Acetoxy-2-methoxy-4-allylbenzene
- 4-Allyl-2-methoxyphenol acetate
- 4-Allyl-2-methoxyphenyl acetate
- NSC 1242
- Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-acetate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -107.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.349 | Crippen Calculated Property | |
| McVol | 165.190 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [1474.00; 1541.00] |
|
|
| Inp | 1485.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1486.00 | NIST | |
| I | [2252.00; 2277.00] |
|
|
| I | 2263.00 | NIST | |
| I | 2273.00 | NIST | |
| I | 2252.00 | NIST | |
| I | 2277.00 | NIST | |
| I | 2263.00 | NIST | |
| I | 2263.00 | NIST | |
| I | 2273.00 | NIST | |
| Tboil | 605.99 | K | Joback Calculated Property |
| Tc | 815.85 | K | Joback Calculated Property |
| Tfus | 369.09 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.71; 469.57] | J/mol×K | [605.99; 815.85] |
|
| Cp,gas | 397.71 | J/mol×K | 605.99 | Joback Calculated Property |
| Cp,gas | 411.50 | J/mol×K | 640.97 | Joback Calculated Property |
| Cp,gas | 424.56 | J/mol×K | 675.94 | Joback Calculated Property |
| Cp,gas | 436.90 | J/mol×K | 710.92 | Joback Calculated Property |
| Cp,gas | 448.51 | J/mol×K | 745.90 | Joback Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 780.88 | Joback Calculated Property |
| Cp,gas | 469.57 | J/mol×K | 815.85 | Joback Calculated Property |
| η | [0.0001480; 0.0009921] | Pa×s | [369.09; 605.99] |
|
| η | 0.0009921 | Pa×s | 369.09 | Joback Calculated Property |
| η | 0.0006199 | Pa×s | 408.57 | Joback Calculated Property |
| η | 0.0004207 | Pa×s | 448.06 | Joback Calculated Property |
| η | 0.0003041 | Pa×s | 487.54 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 527.02 | Joback Calculated Property |
| η | 0.0001819 | Pa×s | 566.51 | Joback Calculated Property |
| η | 0.0001480 | Pa×s | 605.99 | Joback Calculated Property |
| ΔvapH | 63.10 | kJ/mol | 464.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 554.20 | K | 100.00 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 2-methoxy-4-(2-propenyl)-, acetate.
Sources
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