Chemical Properties of Cyclopropanecarboxylic acid, methyl ester (CAS 2868-37-3)

InChI

InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3

InChI Key

PKAHQJNJPDVTDP-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

COC(=O)C1CC1

Molecular Weight¹

100.12

CAS

2868-37-3

Other Names

• Methyl cyclopropylcarboxylate
• methyl cyclopropanecarboxylate

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
PAff	842.10	kJ/mol	NIST
BasG	811.20	kJ/mol	NIST
ΔcH°liquid	-2764.90 ± 1.50	kJ/mol	NIST
ΔfG°	-181.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.70 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-346.00 ± 1.50	kJ/mol	NIST
ΔfusH°	9.63	kJ/mol	Joback Calculated Property
ΔvapH°	[41.27; 41.30]	kJ/mol
ΔvapH°	41.30	kJ/mol	NIST
ΔvapH°	41.27 ± 0.06	kJ/mol	NIST
ΔvapH°	41.30 ± 0.10	kJ/mol	NIST
log10WS	-0.43		Crippen Calculated Property
logPoct/wat	0.569		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	4316.89	kPa	Joback Calculated Property
Tboil	388.00	K	NIST
Tc	591.10	K	Joback Calculated Property
Tfus	236.21	K	Joback Calculated Property
Vc	0.296	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.56; 198.24]	J/mol×K	[396.83; 591.10]
Cp,gas	146.56	J/mol×K	396.83	Joback Calculated Property
Cp,gas	156.32	J/mol×K	429.21	Joback Calculated Property
Cp,gas	165.61	J/mol×K	461.59	Joback Calculated Property
Cp,gas	174.42	J/mol×K	493.97	Joback Calculated Property
Cp,gas	182.79	J/mol×K	526.34	Joback Calculated Property
Cp,gas	190.72	J/mol×K	558.72	Joback Calculated Property
Cp,gas	198.24	J/mol×K	591.10	Joback Calculated Property
η	[0.0004102; 0.0012151]	Pa×s	[236.21; 396.83]
η	0.0012151	Pa×s	236.21	Joback Calculated Property
η	0.0009247	Pa×s	262.98	Joback Calculated Property
η	0.0007401	Pa×s	289.75	Joback Calculated Property
η	0.0006152	Pa×s	316.52	Joback Calculated Property
η	0.0005262	Pa×s	343.29	Joback Calculated Property
η	0.0004605	Pa×s	370.06	Joback Calculated Property
η	0.0004102	Pa×s	396.83	Joback Calculated Property
ΔvapH	[35.25; 42.60]	kJ/mol	[293.00; 388.00]
ΔvapH	42.60 ± 0.40	kJ/mol	293.00	NIST
ΔvapH	35.25	kJ/mol	388.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, methyl ester.

Mixtures

• Cyclopropanecarboxylic acid, methyl ester + Water

Sources

• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibria on Three Binary Systems: Methyl Cyclopropanecarboxalate + Water; Dimethyl Sulfide + Water; and Dimethyl Disulfide + Water
• Joback Method
• McGowan Method
• NIST Webbook

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