Chemical Properties of Cyclobutylcarboxylic acid (CAS 3721-95-7)

InChI

InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)

InChI Key

TXWOGHSRPAYOML-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

O=C(O)C1CCC1

Molecular Weight¹

100.12

CAS

3721-95-7

Other Names

• Cyclobutanecarboxylic acid

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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.
• I : 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
PAff	817.40	kJ/mol	NIST
BasG	786.40	kJ/mol	NIST
ΔcH°liquid	[-2685.60; -2684.00]	kJ/mol
ΔcH°liquid	-2685.60 ± 1.80	kJ/mol	NIST
ΔcH°liquid	-2684.00	kJ/mol	NIST
ΔfG°	-225.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-344.70	kJ/mol	Joback Calculated Property
ΔfH°liquid	-425.30 ± 1.80	kJ/mol	NIST
ΔfusH°	10.43	kJ/mol	Joback Calculated Property
ΔvapH°	50.23	kJ/mol	Joback Calculated Property
IE	10.35	eV	NIST
log10WS	-0.67		Crippen Calculated Property
logPoct/wat	0.871		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	5190.64	kPa	Joback Calculated Property
Inp	[966.00; 987.00]
Inp	966.00		NIST
Inp	987.00		NIST
Inp	987.00		NIST
I	[1831.00; 1885.00]
I	1885.00		NIST
I	1831.00		NIST
Tboil	468.20	K	NIST
Tc	664.03	K	Joback Calculated Property
Tfus	266.05 ± 1.00	K	NIST
Vc	0.289	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.65; 214.83]	J/mol×K	[470.86; 664.03]
Cp,gas	166.65	J/mol×K	470.86	Joback Calculated Property
Cp,gas	175.92	J/mol×K	503.06	Joback Calculated Property
Cp,gas	184.66	J/mol×K	535.25	Joback Calculated Property
Cp,gas	192.90	J/mol×K	567.45	Joback Calculated Property
Cp,gas	200.66	J/mol×K	599.64	Joback Calculated Property
Cp,gas	207.96	J/mol×K	631.84	Joback Calculated Property
Cp,gas	214.83	J/mol×K	664.03	Joback Calculated Property
η	[0.0003513; 0.0160108]	Pa×s	[271.28; 470.86]
η	0.0160108	Pa×s	271.28	Joback Calculated Property
η	0.0059837	Pa×s	304.54	Joback Calculated Property
η	0.0027146	Pa×s	337.81	Joback Calculated Property
η	0.0014190	Pa×s	371.07	Joback Calculated Property
η	0.0008253	Pa×s	404.33	Joback Calculated Property
η	0.0005212	Pa×s	437.60	Joback Calculated Property
η	0.0003513	Pa×s	470.86	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclobutylcarboxylic acid.

Sources

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

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