- InChI
- InChI=1S/C16H22O2/c1-2-3-4-8-13-16(17)18-14-9-12-15-10-6-5-7-11-15/h5-7,9-12H,2-4,8,13-14H2,1H3/b12-9+
- InChI Key
- HVSYFKKRNSYXHZ-FMIVXFBMSA-N
- Formula
- C16H22O2
- SMILES
- CCCCCCC(=O)OCC=Cc1ccccc1
- Molecular Weight1
- 246.34
- 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° | 42.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 4.213 | Crippen Calculated Property | |
| McVol | 215.680 | ml/mol | McGowan Calculated Property |
| Pc | 1849.92 | kPa | Joback Calculated Property |
| Inp | [1905.00; 1909.00] |
|
|
| Inp | 1909.00 | NIST | |
| Inp | 1905.00 | NIST | |
| Inp | 1909.00 | NIST | |
| Inp | 1905.00 | NIST | |
| I | [2545.00; 2545.00] |
|
|
| I | 2545.00 | NIST | |
| I | 2545.00 | NIST | |
| Tboil | 672.61 | K | Joback Calculated Property |
| Tc | 874.88 | K | Joback Calculated Property |
| Tfus | 363.58 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.02; 664.28] | J/mol×K | [672.61; 874.88] |
|
| Cp,gas | 578.02 | J/mol×K | 672.61 | Joback Calculated Property |
| Cp,gas | 594.72 | J/mol×K | 706.32 | Joback Calculated Property |
| Cp,gas | 610.42 | J/mol×K | 740.03 | Joback Calculated Property |
| Cp,gas | 625.19 | J/mol×K | 773.75 | Joback Calculated Property |
| Cp,gas | 639.06 | J/mol×K | 807.46 | Joback Calculated Property |
| Cp,gas | 652.07 | J/mol×K | 841.17 | Joback Calculated Property |
| Cp,gas | 664.28 | J/mol×K | 874.88 | Joback Calculated Property |
| η | [0.0001049; 0.0016796] | Pa×s | [363.58; 672.61] |
|
| η | 0.0016796 | Pa×s | 363.58 | Joback Calculated Property |
| η | 0.0007941 | Pa×s | 415.09 | Joback Calculated Property |
| η | 0.0004430 | Pa×s | 466.59 | Joback Calculated Property |
| η | 0.0002775 | Pa×s | 518.10 | Joback Calculated Property |
| η | 0.0001892 | Pa×s | 569.60 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 621.11 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 672.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cinnamyl heptanoate.
Sources
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