Chemical Properties of «beta»-Phellandren-6-ol

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-5,7,9-11H,3,6H2,1-2H3/t9-,10?/m0/s1

InChI Key

VKAGFXRPRUAOHV-RGURZIINSA-N

Formula

C10H16O

SMILES

C=C1C=CC(C(C)C)CC1O

Molecular Weight¹

152.23

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.19	kJ/mol	Joback Calculated Property
logPoct/wat	2.136		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Inp	1196.00		NIST
I	[1796.00; 1796.00]
I	1796.00		NIST
I	1796.00		NIST

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	[183.98; 482.97]	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			-3.21900e+01
Coefficient B			9.15840e-01
Coefficient C			-4.74280e-04
Coefficient D			7.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.98	J/mol×K	273.00	Calculated Property
Cp,gas	235.71	J/mol×K	353.78	Calculated Property
Cp,gas	282.27	J/mol×K	434.56	Calculated Property
Cp,gas	323.89	J/mol×K	515.33	Calculated Property
Cp,gas	360.81	J/mol×K	596.11	Calculated Property
Cp,gas	393.25	J/mol×K	676.89	Calculated Property
Cp,gas	421.46	J/mol×K	757.67	Calculated Property
Cp,gas	445.66	J/mol×K	838.44	Calculated Property
Cp,gas	466.08	J/mol×K	919.22	Calculated Property
Cp,gas	482.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0204533; 0.0001797]	Pa×s	[265.86; 508.49]	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			-1.38116e+01
Coefficient B			2.63785e+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.			265.86
Temperature range, max.			508.49
η	0.0204533	Pa×s	265.86	Calculated Property
η	0.0082043	Pa×s	292.82	Calculated Property
η	0.0038389	Pa×s	319.78	Calculated Property
η	0.0020215	Pa×s	346.74	Calculated Property
η	0.0011677	Pa×s	373.70	Calculated Property
η	0.0007262	Pa×s	400.66	Calculated Property
η	0.0004795	Pa×s	427.61	Calculated Property
η	0.0003326	Pa×s	454.57	Calculated Property
η	0.0002403	Pa×s	481.53	Calculated Property
η	0.0001797	Pa×s	508.49	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Phellandren-6-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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