Chemical Properties of Ethane, 1,2-diethoxy- (CAS 629-14-1)

InChI

InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3

InChI Key

LZDKZFUFMNSQCJ-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCOCCOCC

Molecular Weight¹

118.17

CAS

629-14-1

Other Names

• 1,2-diethoxyethane
• 1,2-ethanediol, diethyl ether
• 2-Ethoxyethyl ethyl ether
• 3,6-dioxaoctane
• Diethylether ethylenglykolu
• Ethylene glycol diethyl ether
• Glyme-1
• Hisolve EME
• UN 1153
• diethyl cellosolve
• ethyl glyme
• ethylene glycol, diethyl ether

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• 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).
• ε_r : Dielectric Constant (Relative permittivity).
• T_flash,cc : Flash Point (Closed Cup Method) (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• 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
ω	0.6500		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tig	679.15	K	NCMS SOLV-DB
ΔcH°liquid	[-3910.43; -3908.40]	kJ/mol
ΔcH°liquid	-3908.40 ± 0.60	kJ/mol	NIST
ΔcH°liquid	-3910.43 ± 0.92	kJ/mol	NIST
εr	5.10		NCMS SOLV-DB
Tflash,cc	300.15	K	NCMS SOLV-DB
ΔfG°	-210.36	kJ/mol	Joback Calculated Property
ΔfH°gas	[-410.30; -408.23]	kJ/mol
ΔfH°gas	-410.30	kJ/mol	NIST
ΔfH°gas	-408.23 ± 0.97	kJ/mol	NIST
ΔfH°liquid	[-453.50; -451.43]	kJ/mol
ΔfH°liquid	-453.50 ± 0.60	kJ/mol	NIST
ΔfH°liquid	-451.43 ± 0.93	kJ/mol	NIST
ΔfusH°	13.67	kJ/mol	Joback Calculated Property
ΔvapH°	[43.20; 43.27]	kJ/mol
ΔvapH°	43.22	kJ/mol	NCMS SOLV-DB
ΔvapH°	Outlier 43.27	kJ/mol	NIST
ΔvapH°	43.20 ± 0.04	kJ/mol	NIST
ΔvapH°	43.20 ± 0.10	kJ/mol	NIST
ΔvapH°	43.20 ± 0.12	kJ/mol	NIST
ΔvapH°	43.20	kJ/mol	NIST
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	[-0.77; -0.77]
log10WS	-0.77		Aq. Solubility Prediction
log10WS	-0.77		Estimated Solubility
logPoct/wat	0.934		NCMS SOLV-DB
McVol	107.140	ml/mol	McGowan Calculated Property
NFPA Fire	3		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	3220.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[744.80; 787.00]
Inp	787.00		NIST
Inp	754.40		NIST
Inp	787.00		NIST
Inp	787.00		NIST
Inp	771.00		NIST
Inp	773.00		NIST
Inp	744.80		NIST
Inp	754.40		NIST
Tboil	[392.50; 396.70]	K
Tboil	394.35	K	NCMS SOLV-DB
Tboil	394.20	K	NIST
Tboil	396.70	K	NIST
Tboil	392.50	K	NIST
Tboil	394.15	K	NIST
Tboil	394.35 ± 0.30	K	NIST
Tboil	396.00 ± 4.00	K	NIST
Tboil	392.90 ± 2.00	K	NIST
Tboil	395.00 ± 6.00	K	NIST
Tc	[542.00; 542.00]	K
Tc	542.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	542.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[199.15; 199.15]	K
Tfus	199.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	199.15	K	NCMS SOLV-DB
Tfus	199.15	K	NIST
Vc	0.411	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[254.50; 296.97]	J/mol×K	[288.15; 421.48]
Cp,liquid	254.50	J/mol×K	288.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	255.30	J/mol×K	293.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	261.08	J/mol×K	298.15	NIST
Cp,liquid	257.50	J/mol×K	298.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	259.40	J/mol×K	298.15	NIST
Cp,liquid	257.90	J/mol×K	303.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	258.70	J/mol×K	308.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	264.59	J/mol×K	312.57	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	259.50	J/mol×K	313.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	261.20	J/mol×K	318.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	265.54	J/mol×K	322.47	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	262.90	J/mol×K	323.15	Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
Cp,liquid	268.37	J/mol×K	332.37	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	270.86	J/mol×K	342.27	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	273.57	J/mol×K	352.18	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	276.17	J/mol×K	362.08	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	280.31	J/mol×K	371.98	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	283.03	J/mol×K	381.88	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	286.22	J/mol×K	391.78	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	289.88	J/mol×K	401.68	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	293.43	J/mol×K	411.58	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
Cp,liquid	296.97	J/mol×K	421.48	Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
η	0.0007000	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	[36.28; 39.30]	kJ/mol	[316.00; 392.50]
ΔvapH	37.90	kJ/mol	316.00	NIST
ΔvapH	39.30	kJ/mol	360.50	NIST
ΔvapH	36.28	kJ/mol	392.50	NIST
Pvap	1.25	kPa	293.15	NCMS SOLV-DB
n0	1.39000		298.15	NCMS SOLV-DB
ρl	826.22	kg/m3	308.50	Excess Molar Enthalpies and Hydrogen Bonding in Binary Mixtures Containing Ethers and Benzyl Alcohol at 308.15 K and Atmospheric Pressure

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.57; 365.87]	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			4.84340e+01
Coefficient B			4.47440e-01
Coefficient C			-8.06000e-05
Coefficient D			-4.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.57	J/mol×K	273.00	Calculated Property
Cp,gas	194.45	J/mol×K	353.78	Calculated Property
Cp,gas	223.60	J/mol×K	434.56	Calculated Property
Cp,gas	250.85	J/mol×K	515.33	Calculated Property
Cp,gas	276.05	J/mol×K	596.11	Calculated Property
Cp,gas	299.05	J/mol×K	676.89	Calculated Property
Cp,gas	319.69	J/mol×K	757.67	Calculated Property
Cp,gas	337.81	J/mol×K	838.44	Calculated Property
Cp,gas	353.26	J/mol×K	919.22	Calculated Property
Cp,gas	365.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[301.30; 415.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63266e+01
Coefficient B			-4.01967e+03
Coefficient C			-5.06820e+01
Temperature range, min.			301.30
Temperature range, max.			415.60
Pvap	1.33	kPa	301.30	Calculated Property
Pvap	2.89	kPa	314.00	Calculated Property
Pvap	5.83	kPa	326.70	Calculated Property
Pvap	11.07	kPa	339.40	Calculated Property
Pvap	19.90	kPa	352.10	Calculated Property
Pvap	34.12	kPa	364.80	Calculated Property
Pvap	56.11	kPa	377.50	Calculated Property
Pvap	88.88	kPa	390.20	Calculated Property
Pvap	136.21	kPa	402.90	Calculated Property
Pvap	202.63	kPa	415.60	Calculated Property
Pvap	[14.75; 73.39]	kPa	[339.15; 383.15]	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			1.39789e+02
Coefficient B			-1.01431e+04
Coefficient C			-1.86755e+01
Coefficient D			1.41020e-05
Coefficient E			0.00000e+00
Temperature range, min.			339.15
Temperature range, max.			383.15
Pvap	14.75	kPa	339.15	Calculated Property
Pvap	18.10	kPa	344.04	Calculated Property
Pvap	22.05	kPa	348.93	Calculated Property
Pvap	26.67	kPa	353.82	Calculated Property
Pvap	32.05	kPa	358.71	Calculated Property
Pvap	38.26	kPa	363.59	Calculated Property
Pvap	45.40	kPa	368.48	Calculated Property
Pvap	53.57	kPa	373.37	Calculated Property
Pvap	62.86	kPa	378.26	Calculated Property
Pvap	73.39	kPa	383.15	Calculated Property
Pvap	[0.13; 102.40]	kPa	[239.70; 392.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.30596e+01
Coefficient B			-2.92643e+03
Coefficient C			-4.55860e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			239.70
Temperature range, max.			392.70
Pvap	0.13	kPa	239.70	Calculated Property
Pvap	0.45	kPa	256.70	Calculated Property
Pvap	1.26	kPa	273.70	Calculated Property
Pvap	3.07	kPa	290.70	Calculated Property
Pvap	6.65	kPa	307.70	Calculated Property
Pvap	13.13	kPa	324.70	Calculated Property
Pvap	23.97	kPa	341.70	Calculated Property
Pvap	40.99	kPa	358.70	Calculated Property
Pvap	66.33	kPa	375.70	Calculated Property
Pvap	102.40	kPa	392.70	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,2-diethoxy-.

Mixtures

• Ethane, 1,2-diethoxy- + Dimethyl Sulfoxide
• Ethane, 1,2-diethoxy- + Benzyl alcohol
• Ethane, 1,2-diethoxy- + Terephthalic acid
• Ethane, 1,2-diethoxy- + 1,2-Benzenedicarboxylic acid
• 1,3-Benzenedicarboxylic acid + Ethane, 1,2-diethoxy-

Sources

• KDB Vapor Pressure Data
• 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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Partial molar volumes of organic solutes in water. XVIII: Selected polyethers(aq) and 3,6-dioxa-1-heptanol(aq) at T = (298 to 573) K and at pressures up to 30 MPa
• Thermophysical properties of dimethyl sulfoxide + cyclic and linear ethers at 308.15K Application of an extended cell model
• Liquid Densities, Kinematic Viscosities, and Heat Capacities of Some Alkylene glycol Dialkyl Ethers
• Excess Molar Enthalpies and Hydrogen Bonding in Binary Mixtures Containing Ethers and Benzyl Alcohol at 308.15 K and Atmospheric Pressure
• Solubilities of Terephthalic Acid, Phthalic Acid, and Isophthalic Acid in Tetrahydrofuran, Cyclohexanone, 1,2-Diethoxyethane, and Acetophenone
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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