Chemical Properties of BENZOIC ACID, 4-HEPTYL- (CAS 38350-87-7)

InChI

InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)

InChI Key

VSUKEWPHURLYTK-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CCCCCCCc1ccc(C(=O)O)cc1

Molecular Weight¹

220.31

CAS

38350-87-7

Other Names

• 4-heptylbenzoic acid
• p-heptylbenzoic acid

• ω : Acentric Factor.
• 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_subH° : Enthalpy of sublimation 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).
• P_vap : Vapor 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.83; 604.80]	J/mol×K	[697.09; 904.38]
Cp,gas	529.83	J/mol×K	697.09	Joback Calculated Property
Cp,gas	544.38	J/mol×K	731.64	Joback Calculated Property
Cp,gas	558.05	J/mol×K	766.19	Joback Calculated Property
Cp,gas	570.89	J/mol×K	800.73	Joback Calculated Property
Cp,gas	582.92	J/mol×K	835.28	Joback Calculated Property
Cp,gas	594.21	J/mol×K	869.83	Joback Calculated Property
Cp,gas	604.80	J/mol×K	904.38	Joback Calculated Property
η	[0.0001408; 0.0009500]	Pa×s	[447.08; 697.09]
η	0.0009500	Pa×s	447.08	Joback Calculated Property
η	0.0006035	Pa×s	488.75	Joback Calculated Property
η	0.0004117	Pa×s	530.42	Joback Calculated Property
η	0.0002969	Pa×s	572.09	Joback Calculated Property
η	0.0002238	Pa×s	613.75	Joback Calculated Property
η	0.0001749	Pa×s	655.42	Joback Calculated Property
η	0.0001408	Pa×s	697.09	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[427.00; 675.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.20363e+01
Coefficient B			-3.91173e+03
Coefficient C			-9.40500e+01
Temperature range, min.			427.00
Temperature range, max.			675.73
Pvap	1.33	kPa	427.00	Calculated Property
Pvap	3.28	kPa	454.64	Calculated Property
Pvap	7.10	kPa	482.27	Calculated Property
Pvap	13.87	kPa	509.91	Calculated Property
Pvap	24.93	kPa	537.55	Calculated Property
Pvap	41.82	kPa	565.18	Calculated Property
Pvap	66.26	kPa	592.82	Calculated Property
Pvap	100.01	kPa	620.46	Calculated Property
Pvap	144.89	kPa	648.09	Calculated Property
Pvap	202.64	kPa	675.73	Calculated Property

Similar Compounds

Find more compounds similar to BENZOIC ACID, 4-HEPTYL-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic study of the sublimation of eight 4-n-alkylbenzoic acids
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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