Chemical Properties of Cyclohexane-1,2,3-d6

InChI

InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D,2D,3D

InChI Key

XDTMQSROBMDMFD-CBYSEHNBSA-N

Formula

C6H12

SMILES

[2H]C1CCCC([2H])C1[2H]

Molecular Weight¹

87.18

• 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

Property	Value	Unit	Source
ΔfusH°	2.06	kJ/mol	Joback Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	84.540	ml/mol	McGowan Calculated Property
Inp	[665.00; 665.00]
Inp	665.00		NIST
Inp	665.00		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	[92.38; 307.29]	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			-7.41100e+01
Coefficient B			7.22400e-01
Coefficient C			-4.39000e-04
Coefficient D			9.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	92.38	J/mol×K	273.00	Calculated Property
Cp,gas	130.85	J/mol×K	353.78	Calculated Property
Cp,gas	164.95	J/mol×K	434.56	Calculated Property
Cp,gas	194.99	J/mol×K	515.33	Calculated Property
Cp,gas	221.28	J/mol×K	596.11	Calculated Property
Cp,gas	244.13	J/mol×K	676.89	Calculated Property
Cp,gas	263.84	J/mol×K	757.67	Calculated Property
Cp,gas	280.73	J/mol×K	838.44	Calculated Property
Cp,gas	295.11	J/mol×K	919.22	Calculated Property
Cp,gas	307.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0159039; 0.0002312]	Pa×s	[169.00; 396.01]	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			-1.15220e+01
Coefficient B			1.24736e+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.			169.00
Temperature range, max.			396.01
η	0.0159039	Pa×s	169.00	Calculated Property
η	0.0060985	Pa×s	194.22	Calculated Property
η	0.0029150	Pa×s	219.45	Calculated Property
η	0.0016224	Pa×s	244.67	Calculated Property
η	0.0010075	Pa×s	269.89	Calculated Property
η	0.0006787	Pa×s	295.11	Calculated Property
η	0.0004866	Pa×s	320.34	Calculated Property
η	0.0003662	Pa×s	345.56	Calculated Property
η	0.0002865	Pa×s	370.78	Calculated Property
η	0.0002312	Pa×s	396.01	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane-1,2,3-d6.

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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