Chemical Properties of 5-Chlorovaleric acid (CAS 1119-46-6)

InChI

InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)

InChI Key

YSXDKDWNIPOSMF-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

O=C(O)CCCCCl

Molecular Weight¹

136.58

CAS

1119-46-6

Other Names

• 5-Chloro-n-valeric acid
• Pentanoic acid, 5-chloro-

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.58; 296.33]	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			1.58340e+01
Coefficient B			5.36400e-01
Coefficient C			-3.41200e-04
Coefficient D			8.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.58	J/mol×K	273.00	Calculated Property
Cp,gas	166.67	J/mol×K	353.78	Calculated Property
Cp,gas	191.50	J/mol×K	434.56	Calculated Property
Cp,gas	213.32	J/mol×K	515.33	Calculated Property
Cp,gas	232.41	J/mol×K	596.11	Calculated Property
Cp,gas	249.04	J/mol×K	676.89	Calculated Property
Cp,gas	263.48	J/mol×K	757.67	Calculated Property
Cp,gas	275.99	J/mol×K	838.44	Calculated Property
Cp,gas	286.85	J/mol×K	919.22	Calculated Property
Cp,gas	296.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017308; 0.0003601]	Pa×s	[336.63; 485.75]	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			-1.14731e+01
Coefficient B			1.72150e+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.			336.63
Temperature range, max.			485.75
η	0.0017308	Pa×s	336.63	Calculated Property
η	0.0013616	Pa×s	353.20	Calculated Property
η	0.0010945	Pa×s	369.77	Calculated Property
η	0.0008964	Pa×s	386.34	Calculated Property
η	0.0007463	Pa×s	402.91	Calculated Property
η	0.0006304	Pa×s	419.47	Calculated Property
η	0.0005394	Pa×s	436.04	Calculated Property
η	0.0004668	Pa×s	452.61	Calculated Property
η	0.0004081	Pa×s	469.18	Calculated Property
η	0.0003601	Pa×s	485.75	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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