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

118.18

CAS

105-57-7

Other Names

• 1,1-Diaethoxy-aethan
• 1,1-Diethoxy-ethaan
• 1,1-Dietossietano
• 1,1-diethoxyethane
• 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
• Ethylidine diethyl ether
• NSC 7624
• UN 1088
• USAF DO-45
• acetal (acetaldehyde diethyl acetal)
• acetaldehyde diethyl acetal
• ethanal diethyl acetal
• ethylidene diethyl ether

• 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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3870.50 ± 2.30	kJ/mol	NIST
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. Solubility Prediction
log10WS	-0.43		Estimated Solubility
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	726.00		NIST
Inp	734.00		NIST
Inp	730.00		NIST
Inp	Outlier 710.00		NIST
Inp	729.00		NIST
Inp	725.00		NIST
Inp	719.00		NIST
Inp	722.16		NIST
Inp	727.00		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	925.00		NIST
I	886.00		NIST
I	900.00		NIST
I	866.00		NIST
I	910.00		NIST
I	928.00		NIST
I	889.00		NIST
I	890.00		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

Cheméo can also estimate 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,liquid	237.70	J/mol×K	298.00	NIST
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 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
Pvap	32.10	kPa	341.62	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
Pvap	36.70	kPa	345.13	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
Pvap	41.10	kPa	348.33	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
Pvap	49.20	kPa	353.38	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
Pvap	57.90	kPa	357.95	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
Pvap	66.10	kPa	361.96	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
Pvap	72.30	kPa	364.68	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
Pvap	77.90	kPa	366.99	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
Pvap	83.10	kPa	369.09	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
Pvap	90.10	kPa	371.70	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
Pvap	94.80	kPa	373.41	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
Pvap	100.00	kPa	375.27	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
γ	[0.02; 0.02]	N/m	[298.15; 313.15]
γ	0.02	N/m	298.15	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
γ	0.02	N/m	308.15	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
γ	0.02	N/m	313.15	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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.26; 366.41]	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			4.67520e+01
Coefficient B			4.53360e-01
Coefficient C			-8.38000e-05
Coefficient D			-4.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.26	J/mol×K	273.00	Calculated Property
Cp,gas	194.44	J/mol×K	353.78	Calculated Property
Cp,gas	223.84	J/mol×K	434.56	Calculated Property
Cp,gas	251.30	J/mol×K	515.33	Calculated Property
Cp,gas	276.66	J/mol×K	596.11	Calculated Property
Cp,gas	299.76	J/mol×K	676.89	Calculated Property
Cp,gas	320.44	J/mol×K	757.67	Calculated Property
Cp,gas	338.55	J/mol×K	838.44	Calculated Property
Cp,gas	353.92	J/mol×K	919.22	Calculated Property
Cp,gas	366.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075997; 0.0002121]	Pa×s	[173.00; 372.00]	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			-1.15698e+01
Coefficient B			1.15740e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			173.00
Temperature range, max.			372.00
η	0.0075997	Pa×s	173.00	Calculated Property
η	0.0035606	Pa×s	195.11	Calculated Property
η	0.0019466	Pa×s	217.22	Calculated Property
η	0.0011899	Pa×s	239.33	Calculated Property
η	0.0007905	Pa×s	261.45	Calculated Property
η	0.0005597	Pa×s	283.56	Calculated Property
η	0.0004166	Pa×s	305.67	Calculated Property
η	0.0003227	Pa×s	327.78	Calculated Property
η	0.0002582	Pa×s	349.89	Calculated Property
η	0.0002121	Pa×s	372.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[280.67; 398.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.46597e+01
Coefficient B			-7.69833e+03
Coefficient C			-1.01631e+01
Coefficient D			5.21530e-06
Coefficient E			0.00000e+00
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
Pvap	[1.04; 32.96]	kPa	[273.00; 343.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39196e+01
Coefficient B			-2.93056e+03
Coefficient C			-6.18700e+01
Reference			Nicolini and Laffitte, 1949, 2
Temperature range, min.			273.00
Temperature range, max.			343.00
Pvap	1.04	kPa	273.00	Calculated Property
Pvap	1.70	kPa	280.78	Calculated Property
Pvap	2.70	kPa	288.56	Calculated Property
Pvap	4.14	kPa	296.33	Calculated Property
Pvap	6.18	kPa	304.11	Calculated Property
Pvap	9.01	kPa	311.89	Calculated Property
Pvap	12.83	kPa	319.67	Calculated Property
Pvap	17.90	kPa	327.44	Calculated Property
Pvap	24.50	kPa	335.22	Calculated Property
Pvap	32.96	kPa	343.00	Calculated Property
Pvap	[0.13; 100.81]	kPa	[250.00; 375.30]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55420e+01
Coefficient B			-3.62419e+03
Coefficient C			-4.36810e+01
Reference			Stull, 1947
Temperature range, min.			250.00
Temperature range, max.			375.30
Pvap	0.13	kPa	250.00	Calculated Property
Pvap	0.40	kPa	263.92	Calculated Property
Pvap	1.07	kPa	277.84	Calculated Property
Pvap	2.54	kPa	291.77	Calculated Property
Pvap	5.53	kPa	305.69	Calculated Property
Pvap	11.11	kPa	319.61	Calculated Property
Pvap	20.87	kPa	333.53	Calculated Property
Pvap	37.02	kPa	347.46	Calculated Property
Pvap	62.45	kPa	361.38	Calculated Property
Pvap	100.81	kPa	375.30	Calculated Property
Pvap	[1.04; 32.96]	kPa	[273.00; 343.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39196e+01
Coefficient B			-2.93056e+03
Coefficient C			-6.18700e+01
Reference			Nicolini and Laffitte, 1949
Temperature range, min.			273.00
Temperature range, max.			343.00
Pvap	1.04	kPa	273.00	Calculated Property
Pvap	1.70	kPa	280.78	Calculated Property
Pvap	2.70	kPa	288.56	Calculated Property
Pvap	4.14	kPa	296.33	Calculated Property
Pvap	6.18	kPa	304.11	Calculated Property
Pvap	9.01	kPa	311.89	Calculated Property
Pvap	12.83	kPa	319.67	Calculated Property
Pvap	17.90	kPa	327.44	Calculated Property
Pvap	24.50	kPa	335.22	Calculated Property
Pvap	32.96	kPa	343.00	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-
• 2-Propanol + Ethane, 1,1-diethoxy-
• 1,2,4-Trimethylbenzene + 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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