Chemical Properties of Propane, 2,2-diethoxy- (CAS 126-84-1)

InChI

InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3

InChI Key

FGQLGYBGTRHODR-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCOC(C)(C)OCC

Molecular Weight¹

132.20

CAS

126-84-1

Other Names

• 2,2-Diethoxypropane
• Acetone diethyl ketal
• Acetone, diethyl acetal
• USAF do-44

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.3699		Relay (1.0) Calculated Property
ΔfG°	-199.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.70	kJ/mol	NIST
ΔfH°liquid	-538.50 ± 1.00	kJ/mol	NIST
ΔfusH°	8.85	kJ/mol	Joback Calculated Property
ΔvapH°	[31.80; 43.90]	kJ/mol
ΔvapH°	43.20 ± 0.40	kJ/mol	NIST
ΔvapH°	43.90	kJ/mol	NIST
ΔvapH°	31.80	kJ/mol	NIST
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-1.08		Relay (1.0) Calculated Property
logPoct/wat	1.796		Crippen Calculated Property
McVol	121.230	ml/mol	McGowan Calculated Property
Pc	2755.56	kPa	Joback Calculated Property
Inp	[723.00; 761.00]
Inp	723.00		NIST
Inp	731.00		NIST
Inp	754.00		NIST
Inp	761.00		NIST
Inp	723.00		NIST
Tboil	386.00	K	NIST
Tc	510.70	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tfus	207.90 ± 0.60	K	NIST
Vc	0.467	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.33; 418.93]	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			2.30520e+01
Coefficient B			6.68280e-01
Coefficient C			-3.06800e-04
Coefficient D			3.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.33	J/mol×K	273.00	Calculated Property
Cp,gas	222.60	J/mol×K	353.78	Calculated Property
Cp,gas	258.34	J/mol×K	434.56	Calculated Property
Cp,gas	290.67	J/mol×K	515.33	Calculated Property
Cp,gas	319.69	J/mol×K	596.11	Calculated Property
Cp,gas	345.50	J/mol×K	676.89	Calculated Property
Cp,gas	368.23	J/mol×K	757.67	Calculated Property
Cp,gas	387.97	J/mol×K	838.44	Calculated Property
Cp,gas	404.83	J/mol×K	919.22	Calculated Property
Cp,gas	418.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063356; 0.0003393]	Pa×s	[207.90; 357.49]	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			-1.20567e+01
Coefficient B			1.45428e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			207.90
Temperature range, max.			357.49
η	0.0063356	Pa×s	207.90	Calculated Property
η	0.0037748	Pa×s	224.52	Calculated Property
η	0.0024155	Pa×s	241.14	Calculated Property
η	0.0016372	Pa×s	257.76	Calculated Property
η	0.0011633	Pa×s	274.38	Calculated Property
η	0.0008594	Pa×s	291.01	Calculated Property
η	0.0006561	Pa×s	307.63	Calculated Property
η	0.0005149	Pa×s	324.25	Calculated Property
η	0.0004137	Pa×s	340.87	Calculated Property
η	0.0003393	Pa×s	357.49	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2,2-diethoxy-.

Sources

• 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.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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