- InChI
- InChI=1S/C13H20O/c1-5-6-12(14)11-9-10(2)7-8-13(11,3)4/h5-6,9,11H,7-8H2,1-4H3/b6-5-
- InChI Key
- XJPSXUXZJUPQNM-WAYWQWQTSA-N
- Formula
- C13H20O
- SMILES
- CC=CC(=O)C1C=C(C)CCC1(C)C
- Molecular Weight1
- 192.30
- CAS
- 57549-93-6
- Other Names
-
- cis-«alpha»-Damascone
- «alpha»-Z-damascone
- 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 | 0.3482 | Relay (... Calculated Property | |
| ΔfG° | 41.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -184.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.26 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -3.48 | Relay (... Calculated Property | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | [1354.00; 1366.00] |
|
|
| Inp | 1359.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Tboil | 500.25 | K | Relay (... Calculated Property |
| Tc | 712.65 | K | Relay (... Calculated Property |
| Tfus | 300.81 | K | Relay (... Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.46; 536.27] | J/mol×K | [574.13; 792.17] |
|
| Cp,gas | 438.46 | J/mol×K | 574.13 | Joback Calculated Property |
| Cp,gas | 457.12 | J/mol×K | 610.47 | Joback Calculated Property |
| Cp,gas | 474.66 | J/mol×K | 646.81 | Joback Calculated Property |
| Cp,gas | 491.22 | J/mol×K | 683.15 | Joback Calculated Property |
| Cp,gas | 506.92 | J/mol×K | 719.49 | Joback Calculated Property |
| Cp,gas | 521.90 | J/mol×K | 755.83 | Joback Calculated Property |
| Cp,gas | 536.27 | J/mol×K | 792.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-«alpha»-Damascone.
Sources
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