- InChI
- InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-9,16H,10-15H2,1H3/b3-2-,5-4-,7-6?,9-8-
- InChI Key
- RAPKQMZFSCMPDF-FUKINOADSA-N
- Formula
- C15H24O
- SMILES
- C\C=C/C=C\C=C/C=C\CCCCCCO
- Molecular Weight1
- 220.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 39.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.174 | Crippen Calculated Property | |
| McVol | 210.880 | ml/mol | McGowan Calculated Property |
| Inp | [1733.00; 1733.00] |
|
|
| Inp | 1733.00 | NIST | |
| Inp | 1733.00 | NIST | |
| Tboil | 570.62 | K | Relay (1.0) Calculated Property |
| Tfus | 308.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [280.18; 689.54] | 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 | -6.21840e+01 | |||
| Coefficient B | 1.54282e+00 | |||
| Coefficient C | -1.15780e-03 | |||
| Coefficient D | 3.66700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 419.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 475.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 523.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 565.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 601.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 633.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 662.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 689.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0107907; 0.0000477] | Pa×s | [299.31; 580.89] |
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 | -1.57128e+01 | |||
| Coefficient B | 3.34739e+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. | 299.31 | |||
| Temperature range, max. | 580.89 | |||
| η | 0.0107907 | Pa×s | 299.31 | Calculated Property |
| η | 0.0037445 | Pa×s | 330.60 | Calculated Property |
| η | 0.0015603 | Pa×s | 361.88 | Calculated Property |
| η | 0.0007474 | Pa×s | 393.17 | Calculated Property |
| η | 0.0003990 | Pa×s | 424.46 | Calculated Property |
| η | 0.0002322 | Pa×s | 455.74 | Calculated Property |
| η | 0.0001449 | Pa×s | 487.03 | Calculated Property |
| η | 0.0000957 | Pa×s | 518.32 | Calculated Property |
| η | 0.0000662 | Pa×s | 549.61 | Calculated Property |
| η | 0.0000477 | Pa×s | 580.89 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Santalol.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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