Chemical Properties of Cyclohexane, 1,1-dimethoxy- (CAS 933-40-4)

InChI

InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3

InChI Key

XPIJMQVLTXAGME-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

COC1(OC)CCCCC1

Molecular Weight¹

144.21

CAS

933-40-4

Other Names

• 1,1-Dimethoxycyclohexane
• Cyclohexanone dimethyl ketal
• Cyclohexanone, dimethyl acetal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-441.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-492.00 ± 0.80	kJ/mol	NIST
ΔfusH°	4.39	kJ/mol	Joback Calculated Property
ΔvapH°	[48.60; 51.00]	kJ/mol
ΔvapH°	48.60 ± 0.20	kJ/mol	NIST
ΔvapH°	51.00	kJ/mol	NIST
IE	[9.00; 9.52]	eV
IE	9.00	eV	NIST
IE	9.52	eV	NIST
logPoct/wat	1.940		Crippen Calculated Property
McVol	124.460	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[49.00; 52.40]	kJ/mol	[293.00; 331.00]
ΔvapH	49.00 ± 0.20	kJ/mol	293.00	NIST
ΔvapH	52.40	kJ/mol	331.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.95; 461.46]	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			-6.89800e+01
Coefficient B			1.05144e+00
Coefficient C			-8.03000e-04
Coefficient D			2.82000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.95	J/mol×K	273.00	Calculated Property
Cp,gas	214.98	J/mol×K	353.78	Calculated Property
Cp,gas	259.43	J/mol×K	434.56	Calculated Property
Cp,gas	298.20	J/mol×K	515.33	Calculated Property
Cp,gas	332.19	J/mol×K	596.11	Calculated Property
Cp,gas	362.27	J/mol×K	676.89	Calculated Property
Cp,gas	389.35	J/mol×K	757.67	Calculated Property
Cp,gas	414.31	J/mol×K	838.44	Calculated Property
Cp,gas	438.05	J/mol×K	919.22	Calculated Property
Cp,gas	461.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1-dimethoxy-.

Sources

• 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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