- InChI
- InChI=1S/C27H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-24-26(28)23-25(2)29-27/h10-11,23,27H,3-9,12-22,24H2,1-2H3/b11-10-
- InChI Key
- SQWASCWUQBNPCS-KHPPLWFESA-N
- Formula
- C27H48O2
- SMILES
-
CCCCCCCCC=CCCCCCCCCCCCC1CC(=O)
C=C(C)O1 - Molecular Weight1
- 404.67
- CAS
- 243118-19-6
- 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° | 92.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Joback Calculated Property |
| log10WS | -9.70 | Crippen Calculated Property | |
| logPoct/wat | 8.846 | Crippen Calculated Property | |
| McVol | 379.270 | ml/mol | McGowan Calculated Property |
| Pc | 813.53 | kPa | Joback Calculated Property |
| Inp | [3146.10; 3146.10] |
|
|
| Inp | 3146.10 | NIST | |
| Inp | 3146.10 | NIST | |
| Tboil | 939.78 | K | Joback Calculated Property |
| Tc | 1150.60 | K | Joback Calculated Property |
| Tfus | 504.42 | K | Joback Calculated Property |
| Vc | 1.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1315.51; 1421.72] | J/mol×K | [939.78; 1150.60] |
|
| Cp,gas | 1315.51 | J/mol×K | 939.78 | Joback Calculated Property |
| Cp,gas | 1336.81 | J/mol×K | 974.92 | Joback Calculated Property |
| Cp,gas | 1356.60 | J/mol×K | 1010.05 | Joback Calculated Property |
| Cp,gas | 1374.92 | J/mol×K | 1045.19 | Joback Calculated Property |
| Cp,gas | 1391.84 | J/mol×K | 1080.32 | Joback Calculated Property |
| Cp,gas | 1407.42 | J/mol×K | 1115.46 | Joback Calculated Property |
| Cp,gas | 1421.72 | J/mol×K | 1150.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-2-(henicos-12-en-1-yl)-6-methyl-2H-pyran-4(3H)-one.
Sources
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