Chemical Properties of p-Toluic acid, benzyl ester (CAS 5467-99-2)

InChI

InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)15(16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChI Key

LNXGEZSXCGDUSD-UHFFFAOYSA-N

Formula

C15H14O2

SMILES

Cc1ccc(C(=O)OCc2ccccc2)cc1

Molecular Weight¹

226.27

CAS

5467-99-2

Other Names

• Benzyl 4-methylbenzoate

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	56.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-136.14	kJ/mol	Joback Calculated Property
ΔfusH°	25.09	kJ/mol	Joback Calculated Property
ΔvapH°	63.35	kJ/mol	Joback Calculated Property
log10WS	-4.30		Crippen Calculated Property
logPoct/wat	3.352		Crippen Calculated Property
McVol	182.130	ml/mol	McGowan Calculated Property
Pc	2589.85	kPa	Joback Calculated Property
Inp	[1881.40; 1884.80]
Inp	1881.40		NIST
Inp	1881.40		NIST
Inp	1884.80		NIST
Tboil	677.23	K	Joback Calculated Property
Tc	915.77	K	Joback Calculated Property
Tfus	396.33	K	Joback Calculated Property
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.84; 542.35]	J/mol×K	[677.23; 915.77]
Cp,gas	465.84	J/mol×K	677.23	Joback Calculated Property
Cp,gas	481.42	J/mol×K	716.99	Joback Calculated Property
Cp,gas	495.81	J/mol×K	756.74	Joback Calculated Property
Cp,gas	509.05	J/mol×K	796.50	Joback Calculated Property
Cp,gas	521.19	J/mol×K	836.25	Joback Calculated Property
Cp,gas	532.27	J/mol×K	876.01	Joback Calculated Property
Cp,gas	542.35	J/mol×K	915.77	Joback Calculated Property
η	[0.0001356; 0.0012300]	Pa×s	[396.33; 677.23]
η	0.0012300	Pa×s	396.33	Joback Calculated Property
η	0.0007015	Pa×s	443.15	Joback Calculated Property
η	0.0004454	Pa×s	489.96	Joback Calculated Property
η	0.0003061	Pa×s	536.78	Joback Calculated Property
η	0.0002234	Pa×s	583.60	Joback Calculated Property
η	0.0001709	Pa×s	630.41	Joback Calculated Property
η	0.0001356	Pa×s	677.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Toluic acid, benzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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