Chemical Properties of 1,3-Dioxolane, 2,2-diethyl- (CAS 4362-57-6)

InChI

InChI=1S/C7H14O2/c1-3-7(4-2)8-5-6-9-7/h3-6H2,1-2H3

InChI Key

VEMJEYFBPWSPHU-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCC1(CC)OCCO1

Molecular Weight¹

130.18

CAS

4362-57-6

Other Names

• 3-Pentanone, cyclic 1,2-ethanediyl acetal
• 2,2-Diethyl-1,3-dioxolane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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 : 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
ΔfG°	-133.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.09	kJ/mol	Joback Calculated Property
ΔfusH°	17.48	kJ/mol	Joback Calculated Property
ΔvapH°	39.30	kJ/mol	Joback Calculated Property
log10WS	-1.43		Crippen Calculated Property
logPoct/wat	1.550		Crippen Calculated Property
McVol	110.370	ml/mol	McGowan Calculated Property
Pc	3530.46	kPa	Joback Calculated Property
I	[1208.00; 1208.00]
I	1208.00		NIST
I	1208.00		NIST
Tboil	428.98	K	Joback Calculated Property
Tc	632.81	K	Joback Calculated Property
Tfus	256.59	K	Joback Calculated Property
Vc	0.408	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.68; 311.46]	J/mol×K	[428.98; 632.81]
Cp,gas	235.68	J/mol×K	428.98	Joback Calculated Property
Cp,gas	250.57	J/mol×K	462.95	Joback Calculated Property
Cp,gas	264.43	J/mol×K	496.92	Joback Calculated Property
Cp,gas	277.36	J/mol×K	530.89	Joback Calculated Property
Cp,gas	289.44	J/mol×K	564.86	Joback Calculated Property
Cp,gas	300.78	J/mol×K	598.84	Joback Calculated Property
Cp,gas	311.46	J/mol×K	632.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2,2-diethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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