Chemical Properties of Cyclopropanecarboxylic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C7H9ClO2/c8-4-1-5-10-7(9)6-2-3-6/h1,4,6H,2-3,5H2/b4-1+

InChI Key

QAJSCZWJFSRULT-DAFODLJHSA-N

Formula

C7H9ClO2

SMILES

O=C(OCC=CCl)C1CC1

Molecular Weight¹

160.60

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.79	kJ/mol	Joback Calculated Property
logPoct/wat	1.692		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Inp	[855.00; 855.00]
Inp	855.00		NIST
Inp	855.00		NIST
Tboil	468.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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	[146.27; 346.00]	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			-2.95990e+01
Coefficient B			7.91700e-01
Coefficient C			-5.86800e-04
Coefficient D			1.70700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.27	J/mol×K	273.00	Calculated Property
Cp,gas	184.60	J/mol×K	353.78	Calculated Property
Cp,gas	217.64	J/mol×K	434.56	Calculated Property
Cp,gas	245.92	J/mol×K	515.33	Calculated Property
Cp,gas	269.98	J/mol×K	596.11	Calculated Property
Cp,gas	290.37	J/mol×K	676.89	Calculated Property
Cp,gas	307.63	J/mol×K	757.67	Calculated Property
Cp,gas	322.30	J/mol×K	838.44	Calculated Property
Cp,gas	334.91	J/mol×K	919.22	Calculated Property
Cp,gas	346.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024156; 0.0004029]	Pa×s	[253.76; 468.72]	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			-9.93108e+00
Coefficient B			9.91000e+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.			253.76
Temperature range, max.			468.72
η	0.0024156	Pa×s	253.76	Calculated Property
η	0.0017263	Pa×s	277.64	Calculated Property
η	0.0013012	Pa×s	301.53	Calculated Property
η	0.0010223	Pa×s	325.41	Calculated Property
η	0.0008301	Pa×s	349.30	Calculated Property
η	0.0006923	Pa×s	373.18	Calculated Property
η	0.0005901	Pa×s	397.07	Calculated Property
η	0.0005121	Pa×s	420.95	Calculated Property
η	0.0004513	Pa×s	444.84	Calculated Property
η	0.0004029	Pa×s	468.72	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 3-chloroprop-2-enyl 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

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