Chemical Properties of 2-Methylcyclopropanecarboxylic acid (CAS 29555-02-0)

InChI

InChI=1S/C5H8O2/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H,6,7)

InChI Key

AYEGPMGNMOIHDL-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC1CC1C(=O)O

Molecular Weight¹

100.12

CAS

29555-02-0

Other Names

• Cyclopropanecarboxylic acid, 2-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.00; 274.46]	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			-4.13600e+01
Coefficient B			6.54020e-01
Coefficient C			-4.85600e-04
Coefficient D			1.47400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.00	J/mol×K	273.00	Calculated Property
Cp,gas	135.77	J/mol×K	353.78	Calculated Property
Cp,gas	163.24	J/mol×K	434.56	Calculated Property
Cp,gas	186.89	J/mol×K	515.33	Calculated Property
Cp,gas	207.17	J/mol×K	596.11	Calculated Property
Cp,gas	224.56	J/mol×K	676.89	Calculated Property
Cp,gas	239.52	J/mol×K	757.67	Calculated Property
Cp,gas	252.51	J/mol×K	838.44	Calculated Property
Cp,gas	264.00	J/mol×K	919.22	Calculated Property
Cp,gas	274.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011903; 0.0005494]	Pa×s	[320.41; 467.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.18866e+00
Coefficient B			7.86650e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			320.41
Temperature range, max.			467.69
η	0.0011903	Pa×s	320.41	Calculated Property
η	0.0010565	Pa×s	336.77	Calculated Property
η	0.0009481	Pa×s	353.14	Calculated Property
η	0.0008590	Pa×s	369.50	Calculated Property
η	0.0007849	Pa×s	385.87	Calculated Property
η	0.0007224	Pa×s	402.23	Calculated Property
η	0.0006692	Pa×s	418.60	Calculated Property
η	0.0006235	Pa×s	434.96	Calculated Property
η	0.0005840	Pa×s	451.33	Calculated Property
η	0.0005494	Pa×s	467.69	Calculated Property

Similar Compounds

Find more compounds similar to 2-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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