Chemical Properties of Guaia-6-en-10-«beta»-ol

InChI

InChI=1S/C15H26O/c1-9(2)12-7-5-10(3)13-8-6-11(4)14(13)15(12)16/h5,9,11-16H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m0/s1

InChI Key

IBXHXDRJWNEGRB-MWHZVNNOSA-N

Formula

C15H26O

SMILES

CC1=CCC(C(C)C)C(O)C2C(C)CCC12

Molecular Weight¹

222.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[272.29; 764.63]	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			-8.82100e+01
Coefficient B			1.53718e+00
Coefficient C			-8.34640e-04
Coefficient D			1.50300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.29	J/mol×K	273.00	Calculated Property
Cp,gas	357.80	J/mol×K	353.78	Calculated Property
Cp,gas	434.50	J/mol×K	434.56	Calculated Property
Cp,gas	502.87	J/mol×K	515.33	Calculated Property
Cp,gas	563.37	J/mol×K	596.11	Calculated Property
Cp,gas	616.49	J/mol×K	676.89	Calculated Property
Cp,gas	662.70	J/mol×K	757.67	Calculated Property
Cp,gas	702.48	J/mol×K	838.44	Calculated Property
Cp,gas	736.29	J/mol×K	919.22	Calculated Property
Cp,gas	764.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061187; 0.0002168]	Pa×s	[326.99; 597.62]	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			-1.24726e+01
Coefficient B			2.41196e+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.			326.99
Temperature range, max.			597.62
η	0.0061187	Pa×s	326.99	Calculated Property
η	0.0032876	Pa×s	357.06	Calculated Property
η	0.0019454	Pa×s	387.13	Calculated Property
η	0.0012416	Pa×s	417.20	Calculated Property
η	0.0008417	Pa×s	447.27	Calculated Property
η	0.0005993	Pa×s	477.34	Calculated Property
η	0.0004442	Pa×s	507.41	Calculated Property
η	0.0003405	Pa×s	537.48	Calculated Property
η	0.0002684	Pa×s	567.55	Calculated Property
η	0.0002168	Pa×s	597.62	Calculated Property

Similar Compounds

Find more compounds similar to Guaia-6-en-10-«beta»-ol.

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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