Chemical Properties of m-Toluic acid, 2-ethylhexyl ester (CAS 16397-66-3)

InChI

InChI=1S/C16H24O2/c1-4-6-9-14(5-2)12-18-16(17)15-10-7-8-13(3)11-15/h7-8,10-11,14H,4-6,9,12H2,1-3H3

InChI Key

FFYKMINFEGZHCA-UHFFFAOYSA-N

Formula

C16H24O2

SMILES

CCCCC(CC)COC(=O)c1cccc(C)c1

Molecular Weight¹

248.36

CAS

16397-66-3

Other Names

• 2-Ethylhexyl m-toluate

• 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°	-49.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.59	kJ/mol	Joback Calculated Property
ΔfusH°	30.11	kJ/mol	Joback Calculated Property
ΔvapH°	62.92	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	4.368		Crippen Calculated Property
McVol	219.980	ml/mol	McGowan Calculated Property
Pc	1759.49	kPa	Joback Calculated Property
Inp	[1774.00; 1774.00]
Inp	1774.00		NIST
Inp	1774.00		NIST
Tboil	672.99	K	Joback Calculated Property
Tc	872.43	K	Joback Calculated Property
Tfus	366.18	K	Joback Calculated Property
Vc	0.842	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.19; 690.07]	J/mol×K	[672.99; 872.43]
Cp,gas	600.19	J/mol×K	672.99	Joback Calculated Property
Cp,gas	617.51	J/mol×K	706.23	Joback Calculated Property
Cp,gas	633.87	J/mol×K	739.47	Joback Calculated Property
Cp,gas	649.27	J/mol×K	772.71	Joback Calculated Property
Cp,gas	663.76	J/mol×K	805.95	Joback Calculated Property
Cp,gas	677.35	J/mol×K	839.19	Joback Calculated Property
Cp,gas	690.07	J/mol×K	872.43	Joback Calculated Property
η	[0.0001122; 0.0017472]	Pa×s	[366.18; 672.99]
η	0.0017472	Pa×s	366.18	Joback Calculated Property
η	0.0008353	Pa×s	417.31	Joback Calculated Property
η	0.0004692	Pa×s	468.45	Joback Calculated Property
η	0.0002952	Pa×s	519.59	Joback Calculated Property
η	0.0002018	Pa×s	570.72	Joback Calculated Property
η	0.0001469	Pa×s	621.86	Joback Calculated Property
η	0.0001122	Pa×s	672.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to m-Toluic acid, 2-ethylhexyl ester.

Sources

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

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