- InChI
- InChI=1S/C12H18/c1-11-7-4-3-5-8-12(2)10-6-9-11/h3-4,8-9H,5-7,10H2,1-2H3/b4-3-,11-9-,12-8+
- InChI Key
- HJFJPKDXNZHKGG-DZTLHLKESA-N
- Formula
- C12H18
- SMILES
- CC1=CCCC(C)=CCC=CC1
- Molecular Weight1
- 162.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 104.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 4.009 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | [1274.00; 1274.00] |
|
|
| Inp | 1274.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1274.00 | NIST | |
| I | [1503.00; 1503.00] |
|
|
| I | 1503.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1503.00 | NIST | |
| Tboil | 522.70 | K | Joback Calculated Property |
| Tc | 755.05 | K | Joback Calculated Property |
| Tfus | 249.86 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.81; 455.13] | J/mol×K | [522.70; 755.05] |
|
| Cp,gas | 347.81 | J/mol×K | 522.70 | Joback Calculated Property |
| Cp,gas | 368.58 | J/mol×K | 561.43 | Joback Calculated Property |
| Cp,gas | 388.19 | J/mol×K | 600.15 | Joback Calculated Property |
| Cp,gas | 406.64 | J/mol×K | 638.88 | Joback Calculated Property |
| Cp,gas | 423.95 | J/mol×K | 677.60 | Joback Calculated Property |
| Cp,gas | 440.11 | J/mol×K | 716.33 | Joback Calculated Property |
| Cp,gas | 455.13 | J/mol×K | 755.05 | Joback Calculated Property |
| η | [0.0000850; 0.0098765] | Pa×s | [249.86; 522.70] |
|
| η | 0.0098765 | Pa×s | 249.86 | Joback Calculated Property |
| η | 0.0024293 | Pa×s | 295.33 | Joback Calculated Property |
| η | 0.0008688 | Pa×s | 340.81 | Joback Calculated Property |
| η | 0.0003958 | Pa×s | 386.28 | Joback Calculated Property |
| η | 0.0002128 | Pa×s | 431.75 | Joback Calculated Property |
| η | 0.0001288 | Pa×s | 477.23 | Joback Calculated Property |
| η | 0.0000850 | Pa×s | 522.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pregeijerene B.
Sources
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