Chemical Properties of 1-Aminocyclopropanecarboxylic acid, methyl ester

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

Other Names

• 1-Aminocyclopropanecarboxylic acid, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	8.53	kJ/mol	Joback Calculated Property
ΔvapH°	51.15	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	-0.349		Crippen Calculated Property
McVol	87.870	ml/mol	McGowan Calculated Property
Inp	[903.70; 903.70]
Inp	903.70		NIST
Inp	903.70		NIST
Tfus	343.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

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 1-Aminocyclopropanecarboxylic acid, methyl ester.

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.