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

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

• 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	[198.75; 198.78]	K
Tfus	198.75	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.26; 384.04]	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			-4.35800e+01
Coefficient B			7.27720e-01
Coefficient C			-3.27000e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.26	J/mol×K	273.00	Calculated Property
Cp,gas	174.14	J/mol×K	353.78	Calculated Property
Cp,gas	213.11	J/mol×K	434.56	Calculated Property
Cp,gas	248.28	J/mol×K	515.33	Calculated Property
Cp,gas	279.72	J/mol×K	596.11	Calculated Property
Cp,gas	307.52	J/mol×K	676.89	Calculated Property
Cp,gas	331.77	J/mol×K	757.67	Calculated Property
Cp,gas	352.55	J/mol×K	838.44	Calculated Property
Cp,gas	369.94	J/mol×K	919.22	Calculated Property
Cp,gas	384.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055677; 0.0002178]	Pa×s	[198.76; 422.76]	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			-1.13082e+01
Coefficient B			1.21592e+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.			198.76
Temperature range, max.			422.76
η	0.0055677	Pa×s	198.76	Calculated Property
η	0.0028185	Pa×s	223.65	Calculated Property
η	0.0016353	Pa×s	248.54	Calculated Property
η	0.0010476	Pa×s	273.43	Calculated Property
η	0.0007229	Pa×s	298.32	Calculated Property
η	0.0005282	Pa×s	323.21	Calculated Property
η	0.0004036	Pa×s	348.10	Calculated Property
η	0.0003197	Pa×s	372.99	Calculated Property
η	0.0002607	Pa×s	397.87	Calculated Property
η	0.0002178	Pa×s	422.76	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methoxycyclohexane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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