Chemical Properties of 4-Heptyloxybenzoic acid (CAS 15872-42-1)

InChI

InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)

InChI Key

ZRVIYEJYXIDATJ-UHFFFAOYSA-N

Formula

C14H20O3

SMILES

CCCCCCCOc1ccc(C(=O)O)cc1

Molecular Weight¹

236.31

CAS

15872-42-1

Other Names

• 4-n-heptyloxybenzoic acid
• Benzoic acid, 4-(heptyloxy)-
• Benzoic acid, p-(heptyloxy)-
• benzoic acid, 4-heptyloxy-
• p-Heptoxybenzoic acid
• p-Heptyloxybenzoic acid
• p-n-Heptyloxybenzoic acid

• ω : Acentric Factor.
• 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).
• 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).
• 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 Standard Gibbs free energy of formation 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	[276.79; 649.32]	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			6.56000e-01
Coefficient B			1.18302e+00
Coefficient C			-6.63560e-04
Coefficient D			1.29200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.79	J/mol×K	273.00	Calculated Property
Cp,gas	341.85	J/mol×K	353.78	Calculated Property
Cp,gas	400.04	J/mol×K	434.56	Calculated Property
Cp,gas	451.77	J/mol×K	515.33	Calculated Property
Cp,gas	497.44	J/mol×K	596.11	Calculated Property
Cp,gas	537.47	J/mol×K	676.89	Calculated Property
Cp,gas	572.26	J/mol×K	757.67	Calculated Property
Cp,gas	602.23	J/mol×K	838.44	Calculated Property
Cp,gas	627.78	J/mol×K	919.22	Calculated Property
Cp,gas	649.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030863; 0.0001609]	Pa×s	[367.00; 647.61]	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			-1.25979e+01
Coefficient B			2.50187e+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.			367.00
Temperature range, max.			647.61
η	0.0030863	Pa×s	367.00	Calculated Property
η	0.0018098	Pa×s	398.18	Calculated Property
η	0.0011467	Pa×s	429.36	Calculated Property
η	0.0007729	Pa×s	460.54	Calculated Property
η	0.0005477	Pa×s	491.71	Calculated Property
η	0.0004044	Pa×s	522.89	Calculated Property
η	0.0003089	Pa×s	554.07	Calculated Property
η	0.0002429	Pa×s	585.25	Calculated Property
η	0.0001956	Pa×s	616.43	Calculated Property
η	0.0001609	Pa×s	647.61	Calculated Property

Similar Compounds

Find more compounds similar to 4-Heptyloxybenzoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic Study of 4-n-Alkyloxybenzoic Acids
• Joback Method
• McGowan Method
• NIST Webbook

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