Chemical Properties of P-PROPYLBENZOIC ACID (CAS 2438-05-3)

InChI

InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)

InChI Key

ATZHGRNFEFVDDJ-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CCCc1ccc(C(=O)O)cc1

Molecular Weight¹

164.20

CAS

2438-05-3

Other Names

• 4-propylbenzoic acid
• benzoic acid, 4-propyl-
• p-n-Propyl benzoic 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_fusH : Enthalpy of fusion at a given temperature (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	[329.39; 391.28]	J/mol×K	[605.57; 826.55]
Cp,gas	329.39	J/mol×K	605.57	Joback Calculated Property
Cp,gas	341.57	J/mol×K	642.40	Joback Calculated Property
Cp,gas	352.94	J/mol×K	679.23	Joback Calculated Property
Cp,gas	363.56	J/mol×K	716.06	Joback Calculated Property
Cp,gas	373.46	J/mol×K	752.89	Joback Calculated Property
Cp,gas	382.69	J/mol×K	789.72	Joback Calculated Property
Cp,gas	391.28	J/mol×K	826.55	Joback Calculated Property
η	[0.0002092; 0.0011172]	Pa×s	[402.00; 605.57]
η	0.0011172	Pa×s	402.00	Joback Calculated Property
η	0.0007580	Pa×s	435.93	Joback Calculated Property
η	0.0005440	Pa×s	469.86	Joback Calculated Property
η	0.0004082	Pa×s	503.78	Joback Calculated Property
η	0.0003176	Pa×s	537.71	Joback Calculated Property
η	0.0002546	Pa×s	571.64	Joback Calculated Property
η	0.0002092	Pa×s	605.57	Joback Calculated Property
ΔfusH	23.30	kJ/mol	422.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[410.02; 600.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37953e+01
Coefficient B			-4.34318e+03
Coefficient C			-8.84900e+01
Temperature range, min.			410.02
Temperature range, max.			600.43
Pvap	1.33	kPa	410.02	Calculated Property
Pvap	3.07	kPa	431.18	Calculated Property
Pvap	6.41	kPa	452.33	Calculated Property
Pvap	12.36	kPa	473.49	Calculated Property
Pvap	22.24	kPa	494.65	Calculated Property
Pvap	37.76	kPa	515.80	Calculated Property
Pvap	61.00	kPa	536.96	Calculated Property
Pvap	94.36	kPa	558.12	Calculated Property
Pvap	140.58	kPa	579.27	Calculated Property
Pvap	202.66	kPa	600.43	Calculated Property

Similar Compounds

Find more compounds similar to P-PROPYLBENZOIC ACID.

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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