![Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-](/cid/42-513-5/Cyclopenta-c-pyran-1-3H-one-hexahydro-4-7-dimethyl-4-alpha-4a-alpha-7-alpha-7a-alpha.png "Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-")
- InChI
- InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m1/s1
- InChI Key
- LSRNBGXEEKNZHN-HXFLIBJXSA-N
- Formula
- C10H16O2
- SMILES
- CC1COC(=O)C2C(C)CCC12
- Molecular Weight1
- 168.23
- CAS
- 17672-96-7
- Other Names
-
- Cyclopenta[c]pyran-1(3H)-one, hexahydro-4«alpha»,7«alpha»-dimethyl-
- «alpha»-Dihydronepetalactone
- Isodihydronepetalactone
- Isonepetalactone, dihydro-
- Nepetalactone, «alpha»-dihydro-
- Nepetalactone, isodihydro-
- 4«alpha»,7«alpha»-Dimethylhexahydrocyclopenta[c]pyran-1(3H)-one
- 3,4«alpha»-dihydro-4a«alpha»,7«alpha»,7a«alpha»-Nepetalactone
- Dihydronepetalactone
- 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° | -105.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.34 | kJ/mol | Joback Calculated Property |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.842 | Crippen Calculated Property | |
| McVol | 137.480 | ml/mol | McGowan Calculated Property |
| Pc | 2820.33 | kPa | Joback Calculated Property |
| Inp | [1369.00; 1430.00] |
|
|
| Inp | 1430.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1393.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1369.00 | NIST | |
| I | [1992.00; 1992.00] |
|
|
| I | 1992.00 | NIST | |
| I | 1992.00 | NIST | |
| Tboil | 539.92 | K | Joback Calculated Property |
| Tc | 767.98 | K | Joback Calculated Property |
| Tfus | 314.09 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.98; 464.00] | J/mol×K | [539.92; 767.98] |
|
| Cp,gas | 358.98 | J/mol×K | 539.92 | Joback Calculated Property |
| Cp,gas | 379.23 | J/mol×K | 577.93 | Joback Calculated Property |
| Cp,gas | 398.36 | J/mol×K | 615.94 | Joback Calculated Property |
| Cp,gas | 416.39 | J/mol×K | 653.95 | Joback Calculated Property |
| Cp,gas | 433.33 | J/mol×K | 691.96 | Joback Calculated Property |
| Cp,gas | 449.20 | J/mol×K | 729.97 | Joback Calculated Property |
| Cp,gas | 464.00 | J/mol×K | 767.98 | Joback Calculated Property |
Similar Compounds
Sources
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