Chemical Properties of CYCLOBUTYLAMINE

InChI

InChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2

InChI Key

KZZKOVLJUKWSKX-UHFFFAOYSA-N

Formula

C4H9N

SMILES

NC1CCC1

Molecular Weight¹

71.12

Other Names

• Aminocyclobutane
• Cyclobutanamine

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-2865.90 ± 0.54	kJ/mol	NIST
ΔfH°gas	41.00 ± 0.40	kJ/mol	NIST
ΔfH°liquid	5.61 ± 0.59	kJ/mol	NIST
ΔfusH°	7.35	kJ/mol	Joback Calculated Property
ΔvapH°	[35.40; 36.00]	kJ/mol
ΔvapH°	36.00 ± 0.40	kJ/mol	NIST
ΔvapH°	35.40	kJ/mol	NIST
IE	[8.60; 8.75]	eV
IE	8.60 ± 0.03	eV	NIST
IE	8.75 ± 0.03	eV	NIST
logPoct/wat	0.498		Crippen Calculated Property
McVol	66.340	ml/mol	McGowan Calculated Property
Tboil	[355.00; 355.20]	K
Tboil	355.20	K	NIST
Tboil	355.00	K	NIST
Tc	564.69	K	Relay (1.0) Calculated Property
Tfus	269.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[82.38; 243.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.96200e+01
Coefficient B			5.87000e-01
Coefficient C			-4.11000e-04
Coefficient D			1.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	82.38	J/mol×K	273.00	Calculated Property
Cp,gas	111.78	J/mol×K	353.78	Calculated Property
Cp,gas	137.44	J/mol×K	434.56	Calculated Property
Cp,gas	159.72	J/mol×K	515.33	Calculated Property
Cp,gas	178.99	J/mol×K	596.11	Calculated Property
Cp,gas	195.63	J/mol×K	676.89	Calculated Property
Cp,gas	209.99	J/mol×K	757.67	Calculated Property
Cp,gas	222.46	J/mol×K	838.44	Calculated Property
Cp,gas	233.40	J/mol×K	919.22	Calculated Property
Cp,gas	243.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to CYCLOBUTYLAMINE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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