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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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_fus : Normal melting (fusion) point (K).
• 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
ΔfH°liquid	-425.30 ± 1.80	kJ/mol	NIST
ΔfusH°	14.88	kJ/mol	Joback Calculated Property
IE	10.35	eV	NIST
log10WS	-0.51		Relay (1.0) Calculated Property
logPoct/wat	0.871		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan 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
Tfus	266.05 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.93; 222.01]	J/mol×K	[470.52; 685.55]
Cp,gas	168.93	J/mol×K	470.52	Joback Calculated Property
Cp,gas	179.40	J/mol×K	506.36	Joback Calculated Property
Cp,gas	189.16	J/mol×K	542.20	Joback Calculated Property
Cp,gas	198.27	J/mol×K	578.03	Joback Calculated Property
Cp,gas	206.75	J/mol×K	613.87	Joback Calculated Property
Cp,gas	214.65	J/mol×K	649.71	Joback Calculated Property
Cp,gas	222.01	J/mol×K	685.55	Joback Calculated Property
η	[0.0004690; 0.0016104]	Pa×s	[321.13; 470.52]
η	0.0016104	Pa×s	321.13	Joback Calculated Property
η	0.0012176	Pa×s	346.03	Joback Calculated Property
η	0.0009559	Pa×s	370.93	Joback Calculated Property
η	0.0007736	Pa×s	395.82	Joback Calculated Property
η	0.0006419	Pa×s	420.72	Joback Calculated Property
η	0.0005439	Pa×s	445.62	Joback Calculated Property
η	0.0004690	Pa×s	470.52	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclobutylcarboxylic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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