- InChI
- InChI=1S/C17H26O2/c1-11-6-7-16-15(10-17(16,4)5)12(2)9-14(8-11)19-13(3)18/h8,14-16H,2,6-7,9-10H2,1,3-5H3/b11-8-/t14-,15+,16+/m1/s1
- InChI Key
- OJBFJKMLUPVZDL-LKUCEOIBSA-N
- Formula
- C17H26O2
- SMILES
-
C=C1CC(OC(C)=O)C=C(C)CCC2C1CC2
(C)C - Molecular Weight1
- 262.39
- 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).
- 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° | -28.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.68 | Crippen Calculated Property | |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 227.510 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| I | [2210.00; 2210.00] |
|
|
| I | 2210.00 | NIST | |
| I | 2210.00 | NIST | |
| I | 2210.00 | NIST | |
| Tboil | 693.68 | K | Joback Calculated Property |
| Tc | 915.09 | K | Joback Calculated Property |
| Tfus | 414.17 | K | Joback Calculated Property |
| Vc | 0.852 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [671.67; 788.75] | J/mol×K | [693.68; 915.09] |
|
| Cp,gas | 671.67 | J/mol×K | 693.68 | Joback Calculated Property |
| Cp,gas | 693.69 | J/mol×K | 730.58 | Joback Calculated Property |
| Cp,gas | 714.56 | J/mol×K | 767.48 | Joback Calculated Property |
| Cp,gas | 734.39 | J/mol×K | 804.38 | Joback Calculated Property |
| Cp,gas | 753.29 | J/mol×K | 841.28 | Joback Calculated Property |
| Cp,gas | 771.37 | J/mol×K | 878.19 | Joback Calculated Property |
| Cp,gas | 788.75 | J/mol×K | 915.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Acetoxycaryophyllene.
Sources
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