Chemical Properties of Cyclopropanecarboxylic acid, 8-chlorooctyl ester

InChI

InChI=1S/C12H21ClO2/c13-9-5-3-1-2-4-6-10-15-12(14)11-7-8-11/h11H,1-10H2

InChI Key

KCXIAMVMCWDNHA-UHFFFAOYSA-N

Formula

C12H21ClO2

SMILES

O=C(OCCCCCCCCCl)C1CC1

Molecular Weight¹

232.75

• 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°	33.54	kJ/mol	Joback Calculated Property
logPoct/wat	3.519		Crippen Calculated Property
McVol	188.760	ml/mol	McGowan Calculated Property
Inp	[1777.00; 1777.00]
Inp	1777.00		NIST
Inp	1777.00		NIST
Tboil	552.08	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	[266.35; 634.54]	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			-1.99620e+01
Coefficient B			1.24670e+00
Coefficient C			-7.75000e-04
Coefficient D			1.82800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.35	J/mol×K	273.00	Calculated Property
Cp,gas	332.19	J/mol×K	353.78	Calculated Property
Cp,gas	390.45	J/mol×K	434.56	Calculated Property
Cp,gas	441.71	J/mol×K	515.33	Calculated Property
Cp,gas	486.54	J/mol×K	596.11	Calculated Property
Cp,gas	525.52	J/mol×K	676.89	Calculated Property
Cp,gas	559.23	J/mol×K	757.67	Calculated Property
Cp,gas	588.26	J/mol×K	838.44	Calculated Property
Cp,gas	613.16	J/mol×K	919.22	Calculated Property
Cp,gas	634.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031643; 0.0004641]	Pa×s	[315.19; 531.76]	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			-1.04690e+01
Coefficient B			1.48556e+03
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.			315.19
Temperature range, max.			531.76
η	0.0031643	Pa×s	315.19	Calculated Property
η	0.0022651	Pa×s	339.25	Calculated Property
η	0.0016949	Pa×s	363.32	Calculated Property
η	0.0013147	Pa×s	387.38	Calculated Property
η	0.0010506	Pa×s	411.44	Calculated Property
η	0.0008606	Pa×s	435.50	Calculated Property
η	0.0007198	Pa×s	459.57	Calculated Property
η	0.0006129	Pa×s	483.63	Calculated Property
η	0.0005298	Pa×s	507.69	Calculated Property
η	0.0004641	Pa×s	531.76	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 8-chlorooctyl 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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