Chemical Properties of 6-Chlorohexanoic acid, 4-biphenyl ester

InChI

InChI=1S/C18H19ClO2/c19-14-6-2-5-9-18(20)21-17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13H,2,5-6,9,14H2

InChI Key

SVXWLQJIWBRKSA-UHFFFAOYSA-N

Formula

C18H19ClO2

SMILES

O=C(CCCCCCl)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

302.80

• 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).
• 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, 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	[305.11; 724.25]	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			-2.86850e+01
Coefficient B			1.44850e+00
Coefficient C			-8.76560e-04
Coefficient D			1.81000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.11	J/mol×K	273.00	Calculated Property
Cp,gas	382.07	J/mol×K	353.78	Calculated Property
Cp,gas	450.09	J/mol×K	434.56	Calculated Property
Cp,gas	509.76	J/mol×K	515.33	Calculated Property
Cp,gas	561.64	J/mol×K	596.11	Calculated Property
Cp,gas	606.30	J/mol×K	676.89	Calculated Property
Cp,gas	644.32	J/mol×K	757.67	Calculated Property
Cp,gas	676.27	J/mol×K	838.44	Calculated Property
Cp,gas	702.73	J/mol×K	919.22	Calculated Property
Cp,gas	724.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010652; 0.0001086]	Pa×s	[430.23; 694.43]	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			-1.28459e+01
Coefficient B			2.58194e+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.			430.23
Temperature range, max.			694.43
η	0.0010652	Pa×s	430.23	Calculated Property
η	0.0007260	Pa×s	459.59	Calculated Property
η	0.0005181	Pa×s	488.94	Calculated Property
η	0.0003842	Pa×s	518.30	Calculated Property
η	0.0002942	Pa×s	547.65	Calculated Property
η	0.0002314	Pa×s	577.01	Calculated Property
η	0.0001864	Pa×s	606.37	Calculated Property
η	0.0001531	Pa×s	635.72	Calculated Property
η	0.0001280	Pa×s	665.08	Calculated Property
η	0.0001086	Pa×s	694.43	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chlorohexanoic acid, 4-biphenyl 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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