- InChI
- InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10,13H,5-9H2,1-4H3
- InChI Key
- CVIGNZLXCQGQNR-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CC1=C2CCC(C)=C2CC(C(C)C)CC1
- Molecular Weight1
- 204.35
- CAS
- 489-83-8
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -32.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.78 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.869 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Inp | [1492.00; 1556.00] |
|
|
| Inp | 1492.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Tboil | 546.06 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.91; 678.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.65800e+01 | |||
| Coefficient B | 1.37468e+00 | |||
| Coefficient C | -8.12000e-04 | |||
| Coefficient D | 1.82800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 326.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 392.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 503.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 548.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 588.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 622.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 652.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 678.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020246; 0.0002904] | Pa×s | [321.45; 569.37] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.06621e+01 | |||
| Coefficient B | 1.43359e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 321.45 | |||
| Temperature range, max. | 569.37 | |||
| η | 0.0020246 | Pa×s | 321.45 | Calculated Property |
| η | 0.0014239 | Pa×s | 349.00 | Calculated Property |
| η | 0.0010543 | Pa×s | 376.54 | Calculated Property |
| η | 0.0008133 | Pa×s | 404.09 | Calculated Property |
| η | 0.0006485 | Pa×s | 431.64 | Calculated Property |
| η | 0.0005314 | Pa×s | 459.18 | Calculated Property |
| η | 0.0004453 | Pa×s | 486.73 | Calculated Property |
| η | 0.0003803 | Pa×s | 514.28 | Calculated Property |
| η | 0.0003301 | Pa×s | 541.82 | Calculated Property |
| η | 0.0002904 | Pa×s | 569.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Guaia-3,9-diene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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