Chemical Properties of 5-Chlorovaleric acid, cyclobutyl ester

InChI

InChI=1S/C9H15ClO2/c10-7-2-1-6-9(11)12-8-4-3-5-8/h8H,1-7H2

InChI Key

IJPXXYJIZRATCH-UHFFFAOYSA-N

Formula

C9H15ClO2

SMILES

O=C(CCCCCl)OC1CCC1

Molecular Weight¹

190.67

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : 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).
• IE : Ionization energy (eV).
• 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).
• 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.81; 481.54]	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			-2.23560e+01
Coefficient B			9.52100e-01
Coefficient C			-5.65400e-04
Coefficient D			1.17200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.81	J/mol×K	273.00	Calculated Property
Cp,gas	248.90	J/mol×K	353.78	Calculated Property
Cp,gas	294.23	J/mol×K	434.56	Calculated Property
Cp,gas	334.18	J/mol×K	515.33	Calculated Property
Cp,gas	369.11	J/mol×K	596.11	Calculated Property
Cp,gas	399.40	J/mol×K	676.89	Calculated Property
Cp,gas	425.42	J/mol×K	757.67	Calculated Property
Cp,gas	447.54	J/mol×K	838.44	Calculated Property
Cp,gas	466.12	J/mol×K	919.22	Calculated Property
Cp,gas	481.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038000; 0.0004042]	Pa×s	[277.86; 495.81]	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			-1.06705e+01
Coefficient B			1.41645e+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.			277.86
Temperature range, max.			495.81
η	0.0038000	Pa×s	277.86	Calculated Property
η	0.0025252	Pa×s	302.08	Calculated Property
η	0.0017831	Pa×s	326.29	Calculated Property
η	0.0013210	Pa×s	350.51	Calculated Property
η	0.0010174	Pa×s	374.73	Calculated Property
η	0.0008088	Pa×s	398.94	Calculated Property
η	0.0006601	Pa×s	423.16	Calculated Property
η	0.0005507	Pa×s	447.38	Calculated Property
η	0.0004681	Pa×s	471.59	Calculated Property
η	0.0004042	Pa×s	495.81	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric acid, cyclobutyl 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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