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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-174.56	kJ/mol	Joback Calculated Property
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
log10WS	-1.85		Crippen Calculated Property
logPoct/wat	1.940		Crippen Calculated Property
McVol	124.460	ml/mol	McGowan Calculated Property
Pc	3191.93	kPa	Joback Calculated Property
Tboil	447.07	K	Joback Calculated Property
Tc	655.06	K	Joback Calculated Property
Tfus	255.66	K	Joback Calculated Property
Vc	0.451	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.79; 354.47]	J/mol×K	[447.07; 655.06]
Cp,gas	265.79	J/mol×K	447.07	Joback Calculated Property
Cp,gas	282.71	J/mol×K	481.74	Joback Calculated Property
Cp,gas	298.68	J/mol×K	516.40	Joback Calculated Property
Cp,gas	313.77	J/mol×K	551.07	Joback Calculated Property
Cp,gas	328.06	J/mol×K	585.73	Joback Calculated Property
Cp,gas	341.60	J/mol×K	620.40	Joback Calculated Property
Cp,gas	354.47	J/mol×K	655.06	Joback Calculated Property
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

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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