![3-((1S,5S,6R)-2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)propanal](/cid/75-487-9/3-1S-5S-6R-2-6-Dimethylbicyclo-3-1-1-hept-2-en-6-yl-propanal.png "3-((1S,5S,6R)-2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)propanal")
- InChI
- InChI=1S/C12H18O/c1-9-4-5-10-8-11(9)12(10,2)6-3-7-13/h4,7,10-11H,3,5-6,8H2,1-2H3
- InChI Key
- PIUJKRNONSPYOP-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CC1=CCC2CC1C2(C)CCC=O
- Molecular Weight1
- 178.27
- CAS
- 203499-08-5
- 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 | 0.3835 | Relay (... Calculated Property | |
| ΔfG° | 67.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.48 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 155.490 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | 1356.50 | NIST | |
| Tboil | 520.96 | K | Relay (... Calculated Property |
| Tc | 768.26 | K | Relay (... Calculated Property |
| Tfus | 260.35 | K | Relay (... Calculated Property |
| Vc | 0.506 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.50; 481.15] | J/mol×K | [540.08; 747.77] | 
|
| Cp,gas | 392.50 | J/mol×K | 540.08 | Joback Calculated Property |
| Cp,gas | 409.64 | J/mol×K | 574.70 | Joback Calculated Property |
| Cp,gas | 425.65 | J/mol×K | 609.31 | Joback Calculated Property |
| Cp,gas | 440.67 | J/mol×K | 643.93 | Joback Calculated Property |
| Cp,gas | 454.84 | J/mol×K | 678.54 | Joback Calculated Property |
| Cp,gas | 468.29 | J/mol×K | 713.16 | Joback Calculated Property |
| Cp,gas | 481.15 | J/mol×K | 747.77 | Joback Calculated Property |
Similar Compounds
![(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene.](data:image/png;base64,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)
Find more compounds similar to 3-((1S,5S,6R)-2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)propanal.
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