Chemical Properties of Diethyl 1,1-cyclobutanedicarboxylate (CAS 3779-29-1)

InChI

InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3

InChI Key

JPNJEJSZSMXWSV-UHFFFAOYSA-N

Formula

C10H16O4

SMILES

CCOC(=O)C1(C(=O)OCC)CCC1

Molecular Weight¹

200.23

CAS

3779-29-1

Other Names

• Cyclobutane-1,1-dicarboxylic acid diethyl ester
• Diethyl cyclobutane-1,1-dicarboxylate
• 1,1-Cyclobutanedicarboxylic acid, diethyl ester

• ω : Acentric Factor.
• 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).
• 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).
• 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	0.5352		Relay (... Calculated Property
ΔfG°	-391.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-766.88	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.97	kJ/mol	Joback Calculated Property
ΔvapH°	65.59	kJ/mol	Relay (... Calculated Property
IE	9.82	eV	Relay (... Calculated Property
log10WS	-2.35		Relay (... Calculated Property
logPoct/wat	1.283		Crippen Calculated Property
McVol	155.780	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Tboil	[497.20; 499.45]	K
Tboil	497.20	K	NIST
Tboil	499.45 ± 1.50	K	NIST
Tc	705.66	K	Relay (... Calculated Property
Tfus	297.82	K	Relay (... Calculated Property
Vc	0.567	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.45; 475.96]	J/mol×K	[592.03; 797.41]
Cp,gas	400.45	J/mol×K	592.03	Joback Calculated Property
Cp,gas	414.60	J/mol×K	626.26	Joback Calculated Property
Cp,gas	428.01	J/mol×K	660.49	Joback Calculated Property
Cp,gas	440.77	J/mol×K	694.72	Joback Calculated Property
Cp,gas	452.95	J/mol×K	728.95	Joback Calculated Property
Cp,gas	464.66	J/mol×K	763.18	Joback Calculated Property
Cp,gas	475.96	J/mol×K	797.41	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Diethyl 1,1-cyclobutanedicarboxylate.

Sources

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

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