Chemical Properties of 1-Methoxycyclohexane (CAS 931-56-6)

InChI

InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChI Key

GHDIHPNJQVDFBL-UHFFFAOYSA-N

Formula

C7H14O

SMILES

COC1CCCCC1

Molecular Weight¹

114.19

CAS

931-56-6

Other Names

• Ether, cyclohexyl methyl
• Cyclohexyl methyl ether
• Methoxycyclohexane
• Methyl cyclohexyl ether
• Cyclohexane, methoxy-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
PAff	840.50	kJ/mol	NIST
BasG	811.30	kJ/mol	NIST
ΔfH°gas	-235.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.91	kJ/mol	Joback Calculated Property
ΔvapH°	41.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.22 ± 0.03	eV	NIST
log10WS	-1.38		Relay (1.0) Calculated Property
logPoct/wat	1.965		Crippen Calculated Property
McVol	104.500	ml/mol	McGowan Calculated Property
Tboil	[403.15; 406.60]	K
Tboil	406.60 ± 0.50	K	NIST
Tboil	403.15 ± 2.00	K	NIST
Tfus	198.78 ± 0.30	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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
Cp,gas	[197.74; 282.58]	J/mol×K	[401.73; 603.95]
Cp,gas	197.74	J/mol×K	401.73	Joback Calculated Property
Cp,gas	213.51	J/mol×K	435.43	Joback Calculated Property
Cp,gas	228.63	J/mol×K	469.14	Joback Calculated Property
Cp,gas	243.08	J/mol×K	502.84	Joback Calculated Property
Cp,gas	256.89	J/mol×K	536.54	Joback Calculated Property
Cp,gas	270.05	J/mol×K	570.24	Joback Calculated Property
Cp,gas	282.58	J/mol×K	603.95	Joback Calculated Property
η	[0.0002532; 0.0056551]	Pa×s	[198.26; 401.73]
η	0.0056551	Pa×s	198.26	Joback Calculated Property
η	0.0023089	Pa×s	232.17	Joback Calculated Property
η	0.0011845	Pa×s	266.08	Joback Calculated Property
η	0.0007066	Pa×s	300.00	Joback Calculated Property
η	0.0004682	Pa×s	333.91	Joback Calculated Property
η	0.0003347	Pa×s	367.82	Joback Calculated Property
η	0.0002532	Pa×s	401.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methoxycyclohexane.

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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