- InChI
- InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+
- InChI Key
- WODKSVNXBYBTQC-CMDGGOBGSA-N
- Formula
- C15H24O2
- SMILES
- CC(=O)OC(C)C=CC1=C(C)CCCC1(C)C
- Molecular Weight1
- 236.35
- CAS
- 22030-19-9
- Other Names
-
- 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propen-1-yl acetate
- 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 | 0.4377 | Relay (... Calculated Property | |
| ΔfG° | -51.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.16 | kJ/mol | Relay (... Calculated Property |
| IE | 8.30 | eV | Relay (... Calculated Property |
| log10WS | -3.68 | Relay (... Calculated Property | |
| logPoct/wat | 4.021 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 1896.95 | kPa | Joback Calculated Property |
| Inp | [1525.00; 1525.00] |
|
|
| Inp | 1525.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Tboil | 509.79 | K | Relay (... Calculated Property |
| Tc | 721.64 | K | Relay (... Calculated Property |
| Tfus | 298.87 | K | Relay (... Calculated Property |
| Vc | 0.728 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.90; 670.10] | J/mol×K | [651.52; 865.00] |
|
| Cp,gas | 568.90 | J/mol×K | 651.52 | Joback Calculated Property |
| Cp,gas | 587.72 | J/mol×K | 687.10 | Joback Calculated Property |
| Cp,gas | 605.60 | J/mol×K | 722.68 | Joback Calculated Property |
| Cp,gas | 622.67 | J/mol×K | 758.26 | Joback Calculated Property |
| Cp,gas | 639.04 | J/mol×K | 793.84 | Joback Calculated Property |
| Cp,gas | 654.81 | J/mol×K | 829.42 | Joback Calculated Property |
| Cp,gas | 670.10 | J/mol×K | 865.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Ionyl acetate.
Sources
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