- InChI
- InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+
- InChI Key
- XMLSXPIVAXONDL-SNAWJCMRSA-N
- Formula
- C11H16O
- SMILES
- CCC=CCC1=C(C)CCC1=O
- Molecular Weight1
- 164.24
- CAS
- 6261-18-3
- Other Names
-
- (E)-Jasmone
- 3-methyl-2-(trans-2-pentenyl)-2-cyclopenten-1-one
- (E)-3-methyl-2-(pent-2-enyl)cyclopent-2-en-1-one
- 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.
- 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° | 54.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 3.022 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | [1352.00; 1390.00] |
|
|
| Inp | 1352.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Inp | 1390.00 | NIST | |
| Inp | 1385.00 | NIST | |
| I | [1948.00; 1948.00] |
|
|
| I | 1948.00 | NIST | |
| I | 1948.00 | NIST | |
| I | 1948.00 | NIST | |
| Tboil | 552.13 | K | Joback Calculated Property |
| Tc | 768.56 | K | Joback Calculated Property |
| Tfus | 317.81 | K | Joback Calculated Property |
| Vc | 0.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.55; 432.85] | J/mol×K | [552.13; 768.56] |
|
| Cp,gas | 348.55 | J/mol×K | 552.13 | Joback Calculated Property |
| Cp,gas | 364.59 | J/mol×K | 588.20 | Joback Calculated Property |
| Cp,gas | 379.80 | J/mol×K | 624.27 | Joback Calculated Property |
| Cp,gas | 394.21 | J/mol×K | 660.34 | Joback Calculated Property |
| Cp,gas | 407.84 | J/mol×K | 696.41 | Joback Calculated Property |
| Cp,gas | 420.71 | J/mol×K | 732.49 | Joback Calculated Property |
| Cp,gas | 432.85 | J/mol×K | 768.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Jasmone.
Sources
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