Chemical Properties of (1R,7S,E)-7-Isopropyl-4,10-dimethylenecyclodec-5-enol (CAS 81968-62-9)

InChI

InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,8,11,14-16H,3-4,6-7,9-10H2,1-2H3/b8-5+

InChI Key

OSSWBZXPRYZGRO-VMPITWQZSA-N

Formula

C15H24O

SMILES

C=C1C=CC(C(C)C)CCC(=C)C(O)CC1

Molecular Weight¹

220.35

CAS

81968-62-9

• 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	[266.99; 716.13]	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			-3.49300e+01
Coefficient B			1.23494e+00
Coefficient C			-4.68280e-04
Coefficient D			-1.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.99	J/mol×K	273.00	Calculated Property
Cp,gas	342.66	J/mol×K	353.78	Calculated Property
Cp,gas	412.01	J/mol×K	434.56	Calculated Property
Cp,gas	474.98	J/mol×K	515.33	Calculated Property
Cp,gas	531.52	J/mol×K	596.11	Calculated Property
Cp,gas	581.59	J/mol×K	676.89	Calculated Property
Cp,gas	625.14	J/mol×K	757.67	Calculated Property
Cp,gas	662.11	J/mol×K	838.44	Calculated Property
Cp,gas	692.46	J/mol×K	919.22	Calculated Property
Cp,gas	716.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0098098; 0.0000369]	Pa×s	[321.81; 609.10]	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			-1.64628e+01
Coefficient B			3.80971e+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.			321.81
Temperature range, max.			609.10
η	0.0098098	Pa×s	321.81	Calculated Property
η	0.0033706	Pa×s	353.73	Calculated Property
η	0.0013821	Pa×s	385.65	Calculated Property
η	0.0006495	Pa×s	417.57	Calculated Property
η	0.0003398	Pa×s	449.49	Calculated Property
η	0.0001937	Pa×s	481.41	Calculated Property
η	0.0001184	Pa×s	513.33	Calculated Property
η	0.0000767	Pa×s	545.25	Calculated Property
η	0.0000521	Pa×s	577.18	Calculated Property
η	0.0000369	Pa×s	609.10	Calculated Property

Similar Compounds

Find more compounds similar to (1R,7S,E)-7-Isopropyl-4,10-dimethylenecyclodec-5-enol.

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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