Chemical Properties of 1-Methylcyclopropanecarboxylic acid (CAS 6914-76-7)

InChI

InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)

InChI Key

DIZKLZKLNKQFGB-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC1(C(=O)O)CC1

Molecular Weight¹

100.12

CAS

6914-76-7

Other Names

• 1-Methylcyclopropane-1-carboxylic acid
• Cyclopropanecarboxylic acid, 1-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.78; 216.86]	J/mol×K	[466.49; 682.49]
Cp,gas	170.78	J/mol×K	466.49	Joback Calculated Property
Cp,gas	180.35	J/mol×K	502.49	Joback Calculated Property
Cp,gas	188.99	J/mol×K	538.49	Joback Calculated Property
Cp,gas	196.82	J/mol×K	574.49	Joback Calculated Property
Cp,gas	203.99	J/mol×K	610.49	Joback Calculated Property
Cp,gas	210.63	J/mol×K	646.49	Joback Calculated Property
Cp,gas	216.86	J/mol×K	682.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methylcyclopropanecarboxylic acid.

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

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