Chemical Properties of Ethane, 1,1-diethoxy- (CAS 105-57-7)

InChI

InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3

InChI Key

DHKHKXVYLBGOIT-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCOC(C)OCC

Molecular Weight¹

118.17

CAS

105-57-7

Other Names

• 1,1-DIETHOXYETHANE
• 1,1-Diaethoxy-aethan
• 1,1-Diethoxy-ethaan
• 1,1-Dietossietano
• 4-methyl-3,5-dioxaheptane
• Acetal
• Acetal diethylique
• Acetaldehyde, diethyl acetal
• Acetale
• Acetol
• CH3CH(OC2H5)2
• Capsicum annuum l
• DIETHYLACETAL
• Diaethylacetal
• Diethoxy-1,1-ethane
• Diethyl acetal
• ETHYLIDENE DIETHYL ETHER
• Ethanal diethyl acetal
• Ethylidine diethyl ether
• NSC 7624
• UN 1088
• USAF DO-45
• acetal (acetaldehyde diethyl acetal)
• acetaldehyde diethyl acetal

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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
ΔcH°liquid	-3870.50 ± 2.30	kJ/mol	NIST
ΔfG°	-212.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-453.60 ± 3.10	kJ/mol	NIST
ΔfusH°	10.15	kJ/mol	Joback Calculated Property
ΔvapH°	[37.80; 39.60]	kJ/mol
ΔvapH°	39.60 ± 0.30	kJ/mol	NIST
ΔvapH°	37.80 ± 0.84	kJ/mol	NIST
IE	[9.20; 9.78]	eV
IE	9.20	eV	NIST
IE	9.78	eV	NIST
log10WS	[-0.43; -0.43]
log10WS	-0.43		Aq. Sol...
log10WS	-0.43		Estimat...
logPoct/wat	1.405		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
Pc	3220.00 ± 20.00	kPa	NIST
Inp	[710.00; 743.00]
Inp	Outlier 710.00		NIST
Inp	717.00		NIST
Inp	720.00		NIST
Inp	717.30		NIST
Inp	725.00		NIST
Inp	730.00		NIST
Inp	715.00		NIST
Inp	729.00		NIST
Inp	736.00		NIST
Inp	725.00		NIST
Inp	714.00		NIST
Inp	726.00		NIST
Inp	719.00		NIST
Inp	726.00		NIST
Inp	719.00		NIST
Inp	730.00		NIST
Inp	726.00		NIST
Inp	726.00		NIST
Inp	727.00		NIST
Inp	722.16		NIST
Inp	725.00		NIST
Inp	730.00		NIST
Inp	718.00		NIST
Inp	715.00		NIST
Inp	727.00		NIST
Inp	726.00		NIST
Inp	Outlier 743.00		NIST
Inp	727.00		NIST
Inp	726.00		NIST
Inp	Outlier 710.00		NIST
Inp	734.00		NIST
Inp	725.10		NIST
Inp	719.00		NIST
Inp	724.00		NIST
Inp	730.00		NIST
Inp	730.00		NIST
Inp	717.00		NIST
Inp	717.30		NIST
Inp	Outlier 710.00		NIST
Inp	725.00		NIST
Inp	719.00		NIST
Inp	722.16		NIST
Inp	727.00		NIST
Inp	726.00		NIST
Inp	734.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
I	[866.00; 930.00]
I	910.00		NIST
I	866.00		NIST
I	867.00		NIST
I	886.00		NIST
I	889.00		NIST
I	900.00		NIST
I	928.00		NIST
I	894.00		NIST
I	889.00		NIST
I	892.00		NIST
I	891.00		NIST
I	889.00		NIST
I	900.00		NIST
I	898.00		NIST
I	890.00		NIST
I	890.00		NIST
I	890.00		NIST
I	890.00		NIST
I	880.00		NIST
I	925.00		NIST
I	Outlier 930.00		NIST
I	880.00		NIST
I	900.00		NIST
I	900.00		NIST
I	910.00		NIST
I	925.00		NIST
I	928.00		NIST
I	889.00		NIST
I	890.00		NIST
I	866.00		NIST
I	900.00		NIST
I	886.00		NIST
Tboil	[355.75; 376.70]	K
Tboil	375.40	K	KDB
Tboil	375.20	K	NIST
Tboil	376.40	K	NIST
Tboil	376.00	K	NIST
Tboil	376.00 ± 2.00	K	NIST
Tboil	Outlier 355.75 ± 0.50	K	NIST
Tboil	376.70 ± 0.50	K	NIST
Tboil	375.35 ± 1.50	K	NIST
Tboil	376.40 ± 1.50	K	NIST
Tc	[527.00; 539.70]	K
Tc	527.00	K	KDB
Tc	539.70 ± 0.50	K	NIST
Tc	527.60 ± 10.00	K	NIST
Tfus	173.00	K	KDB
Vc	0.402	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[204.59; 262.51]	J/mol×K	[381.08; 550.20]
Cp,gas	204.59	J/mol×K	381.08	Joback Calculated Property
Cp,gas	214.84	J/mol×K	409.27	Joback Calculated Property
Cp,gas	224.86	J/mol×K	437.45	Joback Calculated Property
Cp,gas	234.65	J/mol×K	465.64	Joback Calculated Property
Cp,gas	244.19	J/mol×K	493.83	Joback Calculated Property
Cp,gas	253.48	J/mol×K	522.01	Joback Calculated Property
Cp,gas	262.51	J/mol×K	550.20	Joback Calculated Property
Cp,liquid	237.70	J/mol×K	298.00	NIST
η	[0.0001969; 0.0046299]	Pa×s	[186.84; 381.08]
η	0.0046299	Pa×s	186.84	Joback Calculated Property
η	0.0018547	Pa×s	219.21	Joback Calculated Property
η	0.0009402	Pa×s	251.59	Joback Calculated Property
η	0.0005565	Pa×s	283.96	Joback Calculated Property
η	0.0003667	Pa×s	316.33	Joback Calculated Property
η	0.0002611	Pa×s	348.71	Joback Calculated Property
η	0.0001969	Pa×s	381.08	Joback Calculated Property
ΔfusH	10.95	kJ/mol	167.00	NIST
ΔvapH	[36.20; 41.60]	kJ/mol	[308.00; 332.50]
ΔvapH	39.80	kJ/mol	308.00	NIST
ΔvapH	36.20	kJ/mol	315.50	NIST
ΔvapH	41.60	kJ/mol	332.50	NIST
Pvap	[19.00; 100.00]	kPa	[328.35; 375.27]
Pvap	19.00	kPa	328.35	Vapor L...
Pvap	32.10	kPa	341.62	Vapor L...
Pvap	36.70	kPa	345.13	Vapor L...
Pvap	41.10	kPa	348.33	Vapor L...
Pvap	49.20	kPa	353.38	Vapor L...
Pvap	57.90	kPa	357.95	Vapor L...
Pvap	66.10	kPa	361.96	Vapor L...
Pvap	72.30	kPa	364.68	Vapor L...
Pvap	77.90	kPa	366.99	Vapor L...
Pvap	83.10	kPa	369.09	Vapor L...
Pvap	90.10	kPa	371.70	Vapor L...
Pvap	94.80	kPa	373.41	Vapor L...
Pvap	100.00	kPa	375.27	Vapor L...
γ	[0.02; 0.02]	N/m	[298.15; 313.15]
γ	0.02	N/m	298.15	Excess ...
γ	0.02	N/m	308.15	Excess ...
γ	0.02	N/m	313.15	Excess ...

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[280.67; 398.92]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50751e+01
Coefficient B			-3.39836e+03
Coefficient C			-5.08590e+01
Temperature range, min.			280.67
Temperature range, max.			398.92
Pvap	1.33	kPa	280.67	Calculated Property
Pvap	2.97	kPa	293.81	Calculated Property
Pvap	6.08	kPa	306.95	Calculated Property
Pvap	11.62	kPa	320.09	Calculated Property
Pvap	20.90	kPa	333.23	Calculated Property
Pvap	35.69	kPa	346.36	Calculated Property
Pvap	58.24	kPa	359.50	Calculated Property
Pvap	91.29	kPa	372.64	Calculated Property
Pvap	138.15	kPa	385.78	Calculated Property
Pvap	202.63	kPa	398.92	Calculated Property
Pvap	[5.98e-06; 2967.94]	kPa	[173.15; 541.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.46597e+01
Coefficient B			-7.69833e+03
Coefficient C			-1.01631e+01
Coefficient D			5.21530e-06
Temperature range, min.			173.15
Temperature range, max.			541.00
Pvap	5.98e-06	kPa	173.15	Calculated Property
Pvap	3.67e-03	kPa	214.02	Calculated Property
Pvap	0.22	kPa	254.89	Calculated Property
Pvap	3.54	kPa	295.77	Calculated Property
Pvap	25.62	kPa	336.64	Calculated Property
Pvap	110.70	kPa	377.51	Calculated Property
Pvap	338.28	kPa	418.38	Calculated Property
Pvap	813.40	kPa	459.26	Calculated Property
Pvap	1651.03	kPa	500.13	Calculated Property
Pvap	2967.94	kPa	541.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1-diethoxy-.

Mixtures

• Acetone + Ethane, 1,1-diethoxy-
• Ethyl Acetate + Ethane, 1,1-diethoxy-
• Isopropyl Alcohol + Ethane, 1,1-diethoxy-
• Benzene, 1,2,4-trimethyl- + Ethane, 1,1-diethoxy-
• Ethane, 1,1-diethoxy- + Mesitylene
• Benzene + Ethane, 1,1-diethoxy-
• Ethane, 1,1-diethoxy- + Cyclohexane

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Excess Molar Enthalpies for the Binary Systems of Benzene or Cyclohexane with 1,1-Diethoxyethane at 323.15 K or with 2,2-Dimethoxybutane at 303.15 K and Infinite Dilution Activity Coefficients in 1,1-Diethoxyethane
• Vapor Liquid Equilibrium for Binary System of 2-Propanol + 1,1-Diethoxyethane at 353 K and Ethyl ethanoate + 1,1-Diethoxyethane at 348 K and 2-Propanone + 1,1-Diethoxyethane at 328 K
• Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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