Chemical Properties of Methane, diethoxy- (CAS 462-95-3)

InChI

InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3

InChI Key

KLKFAASOGCDTDT-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

CCOCOCC

Molecular Weight¹

104.15

CAS

462-95-3

Other Names

• 1,1-Diethoxymethane
• 3,5-Dioxaheptane
• Diethoxymethane
• Diethylformal
• Ethane, 1,1'-[methylenebis(oxy)]bis-
• Ethoxymethyl ethyl ether
• Ethylal
• Formaldehyde diethyl acetal
• NSC 6754
• UN 2373
• diethyl formal
• formaldehyde, diethyl acetal

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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
ΔcH°liquid	[-3233.80; -3232.12]	kJ/mol
ΔcH°liquid	-3233.80 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-3232.12 ± 0.79	kJ/mol	NIST
ΔfG°	-218.78	kJ/mol	Joback Calculated Property
ΔfH°gas	[-414.76; -413.10]	kJ/mol
ΔfH°gas	-413.10	kJ/mol	NIST
ΔfH°gas	-414.76 ± 0.86	kJ/mol	NIST
ΔfH°liquid	[-450.41; -448.70]	kJ/mol
ΔfH°liquid	-448.70 ± 0.40	kJ/mol	NIST
ΔfH°liquid	-450.41 ± 0.84	kJ/mol	NIST
ΔfusH°	11.08	kJ/mol	Joback Calculated Property
ΔvapH°	[35.65; 37.00]	kJ/mol
ΔvapH°	35.74	kJ/mol	NIST
ΔvapH°	37.00 ± 2.00	kJ/mol	NIST
ΔvapH°	35.65 ± 0.17	kJ/mol	NIST
ΔvapH°	35.70	kJ/mol	NIST
ΔvapH°	35.70 ± 0.20	kJ/mol	NIST
IE	9.70 ± 0.05	eV	NIST
log10WS	-0.59		Crippen Calculated Property
logPoct/wat	1.017		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3333.53	kPa	Joback Calculated Property
Inp	[635.00; 657.74]
Inp	635.00		NIST
Inp	636.00		NIST
Inp	647.00		NIST
Inp	657.74		NIST
Inp	649.00		NIST
Inp	657.74		NIST
Tboil	358.64	K	Joback Calculated Property
Tc	524.09	K	Joback Calculated Property
Tfus	[206.00; 207.20]	K
Tfus	206.00 ± 2.00	K	NIST
Tfus	206.65 ± 0.50	K	NIST
Tfus	207.20 ± 1.50	K	NIST
Vc	0.351	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.54; 218.03]	J/mol×K	[358.64; 524.09]
Cp,gas	169.54	J/mol×K	358.64	Joback Calculated Property
Cp,gas	178.02	J/mol×K	386.21	Joback Calculated Property
Cp,gas	186.35	J/mol×K	413.79	Joback Calculated Property
Cp,gas	194.52	J/mol×K	441.36	Joback Calculated Property
Cp,gas	202.53	J/mol×K	468.94	Joback Calculated Property
Cp,gas	210.37	J/mol×K	496.51	Joback Calculated Property
Cp,gas	218.03	J/mol×K	524.09	Joback Calculated Property
η	[0.0002027; 0.0025228]	Pa×s	[190.57; 358.64]
η	0.0025228	Pa×s	190.57	Joback Calculated Property
η	0.0012659	Pa×s	218.58	Joback Calculated Property
η	0.0007430	Pa×s	246.59	Joback Calculated Property
η	0.0004861	Pa×s	274.61	Joback Calculated Property
η	0.0003441	Pa×s	302.62	Joback Calculated Property
η	0.0002582	Pa×s	330.63	Joback Calculated Property
η	0.0002027	Pa×s	358.64	Joback Calculated Property
ΔvapH	[31.33; 36.10]	kJ/mol	[317.00; 361.10]
ΔvapH	36.10	kJ/mol	317.00	NIST
ΔvapH	31.33	kJ/mol	361.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[265.32; 449.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.15689e+01
Coefficient B			-2.59148e+03
Coefficient C			-3.56060e+01
Temperature range, min.			265.32
Temperature range, max.			449.75
Pvap	1.33	kPa	265.32	Calculated Property
Pvap	3.36	kPa	285.81	Calculated Property
Pvap	7.36	kPa	306.30	Calculated Property
Pvap	14.43	kPa	326.80	Calculated Property
Pvap	25.90	kPa	347.29	Calculated Property
Pvap	43.26	kPa	367.78	Calculated Property
Pvap	68.08	kPa	388.27	Calculated Property
Pvap	101.92	kPa	408.77	Calculated Property
Pvap	146.30	kPa	429.26	Calculated Property
Pvap	202.64	kPa	449.75	Calculated Property

Similar Compounds

Find more compounds similar to Methane, diethoxy-.

Mixtures

• Methane, diethoxy- + 1,2-Ethanediol + Ethanol
• Methane, diethoxy- + 1,3-Propanediol + Ethanol
• Methane, diethoxy- + 1,4-Butanediol + Ethanol
• Methane, diethoxy- + Ethanol + Formamide
• Methane, diethoxy- + 1,2-Ethanediol
• Methane, diethoxy- + 1,3-Propanediol
• Methane, diethoxy- + 1,4-Butanediol
• Methane, diethoxy- + Formamide

Sources

• Crippen Method
• Crippen Method
• Measurement and thermodynamic modeling of ternary (liquid + liquid) equilibrium for extraction of ethanol from diethoxymethane solution with different solvents
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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