Chemical Properties of Methyl 1-aminocyclopropanecarboxylate (CAS 72784-42-0)

InChI

InChI=1S/C5H9NO2/c1-8-4(7)5(6)2-3-5/h2-3,6H2,1H3

InChI Key

CSHMCEYIMFSLSS-UHFFFAOYSA-N

Formula

C5H9NO2

SMILES

COC(=O)C1(N)CC1

Molecular Weight¹

115.13

CAS

72784-42-0

Other Names

• 1-Aminocyclopropanecarboxylic acid, methyl ester

• 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).
• 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.
• 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
ΔfG°	-120.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-269.50	kJ/mol	Joback Calculated Property
ΔfusH°	8.53	kJ/mol	Joback Calculated Property
ΔvapH°	45.28	kJ/mol	Joback Calculated Property
log10WS	-0.22		Crippen Calculated Property
logPoct/wat	-0.349		Crippen Calculated Property
McVol	87.870	ml/mol	McGowan Calculated Property
Pc	4959.33	kPa	Joback Calculated Property
Inp	[903.70; 903.70]
Inp	903.70		NIST
Inp	903.70		NIST
Tboil	469.60	K	Joback Calculated Property
Tc	687.04	K	Joback Calculated Property
Tfus	343.37	K	Joback Calculated Property
Vc	0.324	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.45; 246.13]	J/mol×K	[469.60; 687.04]
Cp,gas	195.45	J/mol×K	469.60	Joback Calculated Property
Cp,gas	205.62	J/mol×K	505.84	Joback Calculated Property
Cp,gas	214.95	J/mol×K	542.08	Joback Calculated Property
Cp,gas	223.55	J/mol×K	578.32	Joback Calculated Property
Cp,gas	231.54	J/mol×K	614.56	Joback Calculated Property
Cp,gas	239.03	J/mol×K	650.80	Joback Calculated Property
Cp,gas	246.13	J/mol×K	687.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 1-aminocyclopropanecarboxylate.

Sources

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

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