Chemical Properties of Ketone, chloromethyl hexahydro-6-hydroxyidan-1-yl (CAS 116373-84-3)

InChI

InChI=1S/C11H17ClO2/c12-6-11(14)9-4-2-7-1-3-8(13)5-10(7)9/h7-10,13H,1-6H2

InChI Key

UGZFMOUIJAVIJS-UHFFFAOYSA-N

Formula

C11H17ClO2

SMILES

O=C(CCl)C1CCC2CCC(O)CC21

Molecular Weight¹

216.70

CAS

116373-84-3

• 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).
• 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	[208.63; 580.92]	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			-8.55390e+01
Coefficient B			1.28160e+00
Coefficient C			-7.97100e-04
Coefficient D			1.81960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.63	J/mol×K	273.00	Calculated Property
Cp,gas	276.16	J/mol×K	353.78	Calculated Property
Cp,gas	335.80	J/mol×K	434.56	Calculated Property
Cp,gas	388.13	J/mol×K	515.33	Calculated Property
Cp,gas	433.73	J/mol×K	596.11	Calculated Property
Cp,gas	473.18	J/mol×K	676.89	Calculated Property
Cp,gas	507.05	J/mol×K	757.67	Calculated Property
Cp,gas	535.91	J/mol×K	838.44	Calculated Property
Cp,gas	560.34	J/mol×K	919.22	Calculated Property
Cp,gas	580.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053230; 0.0003654]	Pa×s	[371.24; 601.73]	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			-1.22294e+01
Coefficient B			2.59635e+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.			371.24
Temperature range, max.			601.73
η	0.0053230	Pa×s	371.24	Calculated Property
η	0.0033896	Pa×s	396.85	Calculated Property
η	0.0022798	Pa×s	422.46	Calculated Property
η	0.0016045	Pa×s	448.07	Calculated Property
η	0.0011730	Pa×s	473.68	Calculated Property
η	0.0008855	Pa×s	499.29	Calculated Property
η	0.0006871	Pa×s	524.90	Calculated Property
η	0.0005458	Pa×s	550.51	Calculated Property
η	0.0004426	Pa×s	576.12	Calculated Property
η	0.0003654	Pa×s	601.73	Calculated Property

Similar Compounds

Find more compounds similar to Ketone, chloromethyl hexahydro-6-hydroxyidan-1-yl.

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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