- InChI
- InChI=1S/C17H26O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h6,14-16H,1,7-10H2,2-5H3/b12-6+/t14-,15-,16+/m0/s1
- InChI Key
- OCLOVRSVPZPWHE-NBJITSHJSA-N
- Formula
- C17H26O2
- SMILES
-
C=C1CCC(OC(C)=O)C(C)=CCC2C1CC2
(C)C - Molecular Weight1
- 262.39
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4189 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 227.510 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | 1771.00 | NIST | |
| Tboil | 577.80 | K | Relay (1.0) Calculated Property |
| Tc | 792.91 | K | Relay (1.0) Calculated Property |
| Tfus | 319.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) 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 (6R)-Hydroxy-«beta»-caryophyllene acetate.
Sources
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