Chemical Properties of Azetidine (CAS 503-29-7)

InChI

InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2

InChI Key

HONIICLYMWZJFZ-UHFFFAOYSA-N

Formula

C3H7N

SMILES

C1CNC1

Molecular Weight¹

57.09

CAS

503-29-7

Other Names

• 1,3-Propylenimine
• Azete, tetrahydro-
• Trimethylene imine
• Trimethylenimine
• azacyclobutane
• trimethyleneimine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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	0.3004		Relay (1.0) Calculated Property
PAff	943.40	kJ/mol	NIST
BasG	908.60	kJ/mol	NIST
ΔfG°	118.45	kJ/mol	Joback Calculated Property
ΔfH°gas	53.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.08	kJ/mol	Joback Calculated Property
ΔvapH°	34.67	kJ/mol	Relay (1.0) Calculated Property
IE	[8.30; 9.10]	eV
IE	8.63 ± 0.02	eV	NIST
IE	8.30	eV	NIST
IE	8.90	eV	NIST
IE	9.10 ± 0.15	eV	NIST
IE	9.04 ± 0.02	eV	NIST
log10WS	1.34		Relay (1.0) Calculated Property
logPoct/wat	-0.020		Crippen Calculated Property
McVol	52.250	ml/mol	McGowan Calculated Property
Pc	5981.40	kPa	Joback Calculated Property
Inp	599.00		NIST
Tboil	[334.70; 336.00]	K
Tboil	334.70	K	NIST
Tboil	336.00	K	NIST
Tc	518.45	K	Relay (1.0) Calculated Property
Tfus	212.83	K	Relay (1.0) Calculated Property
Vc	0.186	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[72.31; 117.97]	J/mol×K	[332.27; 532.79]
Cp,gas	72.31	J/mol×K	332.27	Joback Calculated Property
Cp,gas	81.03	J/mol×K	365.69	Joback Calculated Property
Cp,gas	89.28	J/mol×K	399.11	Joback Calculated Property
Cp,gas	97.07	J/mol×K	432.53	Joback Calculated Property
Cp,gas	104.44	J/mol×K	465.95	Joback Calculated Property
Cp,gas	111.40	J/mol×K	499.37	Joback Calculated Property
Cp,gas	117.97	J/mol×K	532.79	Joback Calculated Property
ΔvapH	32.60	kJ/mol	288.00	NIST
Pvap	[6.51; 29.73]	kPa	[273.18; 303.53]
Pvap	6.51	kPa	273.18	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	8.22	kPa	277.55	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	9.69	kPa	280.44	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	10.89	kPa	282.64	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	14.18	kPa	288.04	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	14.22	kPa	288.04	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	18.88	kPa	293.56	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	23.36	kPa	298.08	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
Pvap	29.73	kPa	303.53	Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols

Similar Compounds

Find more compounds similar to Azetidine.

Mixtures

• Heptane + Azetidine

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K
• Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
• Joback Method
• McGowan Method
• NIST Webbook

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