Chemical Properties of Heptanoic acid, 7-chloro-

InChI

InChI=1S/C7H13ClO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)

InChI Key

IGNBKLCFKTYIRI-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

O=C(O)CCCCCCCl

Molecular Weight¹

164.63

• 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

Cheméo can also estimate Acentric Factor for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.00; 399.52]	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			1.40160e+01
Coefficient B			7.26400e-01
Coefficient C			-4.50000e-04
Coefficient D			1.09100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.00	J/mol×K	273.00	Calculated Property
Cp,gas	219.51	J/mol×K	353.78	Calculated Property
Cp,gas	253.65	J/mol×K	434.56	Calculated Property
Cp,gas	283.78	J/mol×K	515.33	Calculated Property
Cp,gas	310.23	J/mol×K	596.11	Calculated Property
Cp,gas	333.36	J/mol×K	676.89	Calculated Property
Cp,gas	353.51	J/mol×K	757.67	Calculated Property
Cp,gas	371.02	J/mol×K	838.44	Calculated Property
Cp,gas	386.24	J/mol×K	919.22	Calculated Property
Cp,gas	399.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017174; 0.0003454]	Pa×s	[359.17; 514.28]	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			-1.16843e+01
Coefficient B			1.90982e+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.			359.17
Temperature range, max.			514.28
η	0.0017174	Pa×s	359.17	Calculated Property
η	0.0013462	Pa×s	376.40	Calculated Property
η	0.0010781	Pa×s	393.64	Calculated Property
η	0.0008796	Pa×s	410.87	Calculated Property
η	0.0007295	Pa×s	428.11	Calculated Property
η	0.0006138	Pa×s	445.34	Calculated Property
η	0.0005232	Pa×s	462.58	Calculated Property
η	0.0004511	Pa×s	479.81	Calculated Property
η	0.0003929	Pa×s	497.04	Calculated Property
η	0.0003454	Pa×s	514.28	Calculated Property

Similar Compounds

Find more compounds similar to Heptanoic acid, 7-chloro-.

Sources

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

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