- InChI
- InChI=1S/C15H20O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3/b11-8+
- InChI Key
- BHXVENZBMFLCKE-DHZHZOJOSA-N
- Formula
- C15H20O2
- SMILES
- CCCCCC(=O)OCC=Cc1ccccc1
- Molecular Weight1
- 232.32
- CAS
- 6994-20-3
- Other Names
-
- Cinnamyl n-hexanoate
- Cinnamyl hexanoate
- 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).
- 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).
- 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° | 34.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.823 | Crippen Calculated Property | |
| McVol | 201.590 | ml/mol | McGowan Calculated Property |
| Pc | 2012.70 | kPa | Joback Calculated Property |
| Inp | 1805.00 | NIST | |
| I | [2445.00; 2445.00] |
|
|
| I | 2445.00 | NIST | |
| I | 2445.00 | NIST | |
| Tboil | 649.73 | K | Joback Calculated Property |
| Tc | 854.73 | K | Joback Calculated Property |
| Tfus | 352.31 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.00; 609.10] | J/mol×K | [649.73; 854.73] |
|
| Cp,gas | 525.00 | J/mol×K | 649.73 | Joback Calculated Property |
| Cp,gas | 541.30 | J/mol×K | 683.90 | Joback Calculated Property |
| Cp,gas | 556.63 | J/mol×K | 718.06 | Joback Calculated Property |
| Cp,gas | 571.03 | J/mol×K | 752.23 | Joback Calculated Property |
| Cp,gas | 584.55 | J/mol×K | 786.39 | Joback Calculated Property |
| Cp,gas | 597.22 | J/mol×K | 820.56 | Joback Calculated Property |
| Cp,gas | 609.10 | J/mol×K | 854.73 | Joback Calculated Property |
| η | [0.0001171; 0.0017946] | Pa×s | [352.31; 649.73] |
|
| η | 0.0017946 | Pa×s | 352.31 | Joback Calculated Property |
| η | 0.0008601 | Pa×s | 401.88 | Joback Calculated Property |
| η | 0.0004845 | Pa×s | 451.45 | Joback Calculated Property |
| η | 0.0003057 | Pa×s | 501.02 | Joback Calculated Property |
| η | 0.0002096 | Pa×s | 550.59 | Joback Calculated Property |
| η | 0.0001529 | Pa×s | 600.16 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 649.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3-phenyl-2-propenyl ester.
Sources
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