Chemical Properties of 1,1-Cyclobutanedicarboxylic acid (CAS 5445-51-2)

InChI

InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)

InChI Key

CCQPAEQGAVNNIA-UHFFFAOYSA-N

Formula

C6H8O4

SMILES

O=C(O)C1(C(=O)O)CCC1

Molecular Weight¹

144.13

CAS

5445-51-2

Other Names

• Cyclobutane-1,1-dicarboxylic acid

• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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_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	0.7167		Relay (... Calculated Property
ΔfG°	-488.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-724.50 ± 1.20	kJ/mol	NIST
ΔfH°solid	-835.70 ± 1.00	kJ/mol	NIST
ΔfusH°	12.41	kJ/mol	Joback Calculated Property
ΔsubH°	[111.20; 111.20]	kJ/mol
ΔsubH°	111.20 ± 0.70	kJ/mol	NIST
ΔsubH°	111.20	kJ/mol	NIST
ΔvapH°	69.92	kJ/mol	Relay (... Calculated Property
IE	10.63	eV	Relay (... Calculated Property
log10WS	-1.08		Relay (... Calculated Property
logPoct/wat	0.326		Crippen Calculated Property
McVol	99.420	ml/mol	McGowan Calculated Property
Pc	6065.55	kPa	Joback Calculated Property
Tboil	512.82	K	Relay (... Calculated Property
Tc	786.06	K	Relay (... Calculated Property
Tfus	438.48	K	Relay (... Calculated Property
Vc	0.341	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.17; 298.24]	J/mol×K	[640.03; 834.91]
Cp,gas	259.17	J/mol×K	640.03	Joback Calculated Property
Cp,gas	266.26	J/mol×K	672.51	Joback Calculated Property
Cp,gas	273.01	J/mol×K	704.99	Joback Calculated Property
Cp,gas	279.49	J/mol×K	737.47	Joback Calculated Property
Cp,gas	285.80	J/mol×K	769.95	Joback Calculated Property
Cp,gas	292.02	J/mol×K	802.43	Joback Calculated Property
Cp,gas	298.24	J/mol×K	834.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Cyclobutanedicarboxylic acid.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.