Chemical Properties of Cyclohexanol, 2-methoxy-, (1R,2R)-rel- (CAS 7429-40-5)

InChI

InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1

InChI Key

DCQQZLGQRIVCNH-BQBZGAKWSA-N

Formula

C7H14O2

SMILES

COC1CCCCC1O

Molecular Weight¹

130.18

CAS

7429-40-5

Other Names

• Cyclohexanol,2-methoxy-,trans-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[146.03; 409.37]	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			-3.23500e+01
Coefficient B			7.35220e-01
Coefficient C			-3.02000e-04
Coefficient D			8.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.03	J/mol×K	273.00	Calculated Property
Cp,gas	190.33	J/mol×K	353.78	Calculated Property
Cp,gas	230.81	J/mol×K	434.56	Calculated Property
Cp,gas	267.49	J/mol×K	515.33	Calculated Property
Cp,gas	300.41	J/mol×K	596.11	Calculated Property
Cp,gas	329.58	J/mol×K	676.89	Calculated Property
Cp,gas	355.03	J/mol×K	757.67	Calculated Property
Cp,gas	376.80	J/mol×K	838.44	Calculated Property
Cp,gas	394.90	J/mol×K	919.22	Calculated Property
Cp,gas	409.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0263065; 0.0001947]	Pa×s	[254.84; 476.46]	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			-1.41850e+01
Coefficient B			2.68782e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			254.84
Temperature range, max.			476.46
η	0.0263065	Pa×s	254.84	Calculated Property
η	0.0103862	Pa×s	279.46	Calculated Property
η	0.0047667	Pa×s	304.09	Calculated Property
η	0.0024584	Pa×s	328.71	Calculated Property
η	0.0013905	Pa×s	353.34	Calculated Property
η	0.0008471	Pa×s	377.96	Calculated Property
η	0.0005483	Pa×s	402.59	Calculated Property
η	0.0003732	Pa×s	427.21	Calculated Property
η	0.0002648	Pa×s	451.84	Calculated Property
η	0.0001947	Pa×s	476.46	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 2-methoxy-, (1R,2R)-rel-.

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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