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

• 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°	10.11	kJ/mol	Joback Calculated Property
ΔvapH°	53.71	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	340.14	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.89; 308.43]	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			-6.99900e+01
Coefficient B			9.28720e-01
Coefficient C			-9.49800e-04
Coefficient D			3.99500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.89	J/mol×K	273.00	Calculated Property
Cp,gas	157.38	J/mol×K	353.78	Calculated Property
Cp,gas	187.01	J/mol×K	434.56	Calculated Property
Cp,gas	211.05	J/mol×K	515.33	Calculated Property
Cp,gas	230.75	J/mol×K	596.11	Calculated Property
Cp,gas	247.37	J/mol×K	676.89	Calculated Property
Cp,gas	262.19	J/mol×K	757.67	Calculated Property
Cp,gas	276.46	J/mol×K	838.44	Calculated Property
Cp,gas	291.46	J/mol×K	919.22	Calculated Property
Cp,gas	308.43	J/mol×K	1000.00	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.
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