- InChI
- InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3
- InChI Key
- FUDNBFMOXDUIIE-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- C=CC(C)CCC=C(C)C
- Molecular Weight1
- 138.25
- CAS
- 2436-90-0
- Other Names
-
- (-)-(1S)-cis-pinane
- (-)-(1S,2R,5S)-cis-pinane
- (-)-cis-pinane
- .beta.-citronellene
- 2,6-Dimethyl 2,7-octadiene
- 3,7-Dimethyl-1,6-octadiene
- 3,7-Dimethyl-octa-1,6-diene
- Citronellene
- Dihydromyrcene
- [1S-(1.alpha.,2.beta.,5.alpha.)]-2,6,6-trimethylbicyclo[3.1.1]heptane
- bicyclo[3.1.1]heptane, 2,6,6-trimethyl-,
- pinane, (1S,2R,5S)-(-)-
- pinane, cis-(-)-
- «beta»-Citronellene
- «beta»-Citronellene
- 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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- 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° | 190.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -22.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 3.555 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Inp | [939.00; 982.00] |
|
|
| Inp | 947.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | Outlier 982.00 | NIST | |
| Inp | 946.00 | NIST | |
| I | [1049.00; 1088.00] |
|
|
| I | 1049.00 | NIST | |
| I | 1088.00 | NIST | |
| Tboil | 432.00 ± 3.00 | K | NIST |
| Tc | 609.41 | K | Joback Calculated Property |
| Tfus | 166.66 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.02; 364.58] | J/mol×K | [428.48; 609.41] |
|
| Cp,gas | 284.02 | J/mol×K | 428.48 | Joback Calculated Property |
| Cp,gas | 299.14 | J/mol×K | 458.64 | Joback Calculated Property |
| Cp,gas | 313.54 | J/mol×K | 488.79 | Joback Calculated Property |
| Cp,gas | 327.26 | J/mol×K | 518.95 | Joback Calculated Property |
| Cp,gas | 340.32 | J/mol×K | 549.10 | Joback Calculated Property |
| Cp,gas | 352.75 | J/mol×K | 579.26 | Joback Calculated Property |
| Cp,gas | 364.58 | J/mol×K | 609.41 | Joback Calculated Property |
| n0 | 1.44160 | 293.10 | Liquid ... | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [325.18; 457.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53459e+01 | |||
| Coefficient B | -3.98444e+03 | |||
| Coefficient C | -6.05790e+01 | |||
| Temperature range, min. | 325.18 | |||
| Temperature range, max. | 457.66 | |||
| Pvap | 1.33 | kPa | 325.18 | Calculated Property |
| Pvap | 2.95 | kPa | 339.90 | Calculated Property |
| Pvap | 6.02 | kPa | 354.62 | Calculated Property |
| Pvap | 11.49 | kPa | 369.34 | Calculated Property |
| Pvap | 20.67 | kPa | 384.06 | Calculated Property |
| Pvap | 35.33 | kPa | 398.78 | Calculated Property |
| Pvap | 57.74 | kPa | 413.50 | Calculated Property |
| Pvap | 90.74 | kPa | 428.22 | Calculated Property |
| Pvap | 137.73 | kPa | 442.94 | Calculated Property |
| Pvap | 202.67 | kPa | 457.66 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Octadiene, 3,7-dimethyl-.
Mixtures
- 1,4-Dioxane + Water + 1,6-Octadiene, 3,7-dimethyl-
- 1,6-Octadiene, 3,7-dimethyl- + 7-Octen-2-ol, 2,6-dimethyl-
- Acetone + Water + 1,6-Octadiene, 3,7-dimethyl-
- 1,6-Octadiene, 3,7-dimethyl- + 7-Octen-2-ol, 2,6-dimethyl-
Sources
- Crippen Method
- Crippen Method
- Liquid liquid phase equilibria of the ternary system of water/1,4-dioxane/dihydromyrcene
- Isobaric vapor liquid equilibrium (VLE) for pinane, dihydromyrcene (DHM) and dihydromyrcenol (DHMOH) at 6 kPa
- Coupled phase-reaction equilibrium for dihydromyrcene hydration system
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.