- InChI
- InChI=1S/C18H18O3/c1-3-14(2)18(19)20-13-15-8-7-11-17(12-15)21-16-9-5-4-6-10-16/h3-12H,13H2,1-2H3/b14-3+
- InChI Key
- PTDIDLMUDYYUQZ-LZWSPWQCSA-N
- Formula
- C18H18O3
- SMILES
-
CC=C(C)C(=O)OCc1cccc(Oc2ccccc2
)c1 - Molecular Weight1
- 282.33
- 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° | 48.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 4.488 | Crippen Calculated Property | |
| McVol | 225.970 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | [2233.00; 2233.00] |
|
|
| Inp | 2233.00 | NIST | |
| Inp | 2233.00 | NIST | |
| Tboil | 772.33 | K | Joback Calculated Property |
| Tc | 1006.56 | K | Joback Calculated Property |
| Tfus | 433.33 | K | Joback Calculated Property |
| Vc | 0.851 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.09; 704.66] | J/mol×K | [772.33; 1006.56] |
|
| Cp,gas | 628.09 | J/mol×K | 772.33 | Joback Calculated Property |
| Cp,gas | 643.77 | J/mol×K | 811.37 | Joback Calculated Property |
| Cp,gas | 658.20 | J/mol×K | 850.41 | Joback Calculated Property |
| Cp,gas | 671.45 | J/mol×K | 889.44 | Joback Calculated Property |
| Cp,gas | 683.57 | J/mol×K | 928.48 | Joback Calculated Property |
| Cp,gas | 694.62 | J/mol×K | 967.52 | Joback Calculated Property |
| Cp,gas | 704.66 | J/mol×K | 1006.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenoxybenzyl (E)-2-methylbut-2-enoate.
Sources
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