- InChI
- InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
- InChI Key
- YCIXWYOBMVNGTB-UHFFFAOYSA-N
- Formula
- C11H18O
- SMILES
- CCCCCC1=C(C)CCC1=O
- Molecular Weight1
- 166.26
- CAS
- 1128-08-1
- Other Names
-
- 2-Cyclopenten-1-one, 3-methyl-2-pentyl-
- Jasmone, dihydro-
- 3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one
- 2-Pentyl-3-methyl-2-cyclopenten-1-one
- 2-n-Pentyl-3-methyl-2-cyclopenten-1-one
- 3-methyl-2-pentylcyclopent-2-enone
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -25.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.246 | Crippen Calculated Property | |
| McVol | 152.260 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | [1362.40; 1400.00] |
|
|
| Inp | 1362.40 | NIST | |
| Inp | 1400.00 | NIST | |
| Inp | 1374.00 | NIST | |
| I | [1842.00; 1892.00] |
|
|
| I | 1892.00 | NIST | |
| I | 1842.00 | NIST | |
| Tboil | 547.97 | K | Joback Calculated Property |
| Tc | 755.00 | K | Joback Calculated Property |
| Tfus | 322.89 | K | Joback Calculated Property |
| Vc | 0.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.24; 454.82] | J/mol×K | [547.97; 755.00] |
|
| Cp,gas | 367.24 | J/mol×K | 547.97 | Joback Calculated Property |
| Cp,gas | 383.69 | J/mol×K | 582.48 | Joback Calculated Property |
| Cp,gas | 399.40 | J/mol×K | 616.98 | Joback Calculated Property |
| Cp,gas | 414.36 | J/mol×K | 651.49 | Joback Calculated Property |
| Cp,gas | 428.57 | J/mol×K | 685.99 | Joback Calculated Property |
| Cp,gas | 442.06 | J/mol×K | 720.50 | Joback Calculated Property |
| Cp,gas | 454.82 | J/mol×K | 755.00 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [389.20; 416.70] | K | [1.60; 2.90] |
|
| Tboilr | 389.20 | K | 1.60 | NIST |
| Tboilr | 416.70 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to Dihydrojasmone.
Sources
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