Chemical Properties of o-Toluic acid, decyl ester (CAS 107141-17-3)

InChI

InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-12-15-20-18(19)17-14-11-10-13-16(17)2/h10-11,13-14H,3-9,12,15H2,1-2H3

InChI Key

JTRXLGJPZKNYRY-UHFFFAOYSA-N

Formula

C18H28O2

SMILES

CCCCCCCCCCOC(=O)c1ccccc1C

Molecular Weight¹

276.41

CAS

107141-17-3

Other Names

• o-Toluylic acid, decyl ester

• 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).
• 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
ω	0.8554		Relay (1.0) Calculated Property
ΔfH°gas	-496.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.40	kJ/mol	Joback Calculated Property
ΔvapH°	92.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-5.97		Relay (1.0) Calculated Property
logPoct/wat	5.293		Crippen Calculated Property
McVol	248.160	ml/mol	McGowan Calculated Property
Pc	1451.25	kPa	Joback Calculated Property
Inp	[2082.20; 2082.20]
Inp	2082.20		NIST
Inp	2082.20		NIST
Tboil	604.07	K	Relay (1.0) Calculated Property
Tc	809.08	K	Relay (1.0) Calculated Property
Tfus	266.31	K	Relay (1.0) Calculated Property
Vc	0.942	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[703.56; 796.30]	J/mol×K	[701.32; 891.94]
Cp,gas	703.56	J/mol×K	701.32	Joback Calculated Property
Cp,gas	721.46	J/mol×K	733.09	Joback Calculated Property
Cp,gas	738.35	J/mol×K	764.86	Joback Calculated Property
Cp,gas	754.24	J/mol×K	796.63	Joback Calculated Property
Cp,gas	769.18	J/mol×K	828.40	Joback Calculated Property
Cp,gas	783.19	J/mol×K	860.17	Joback Calculated Property
Cp,gas	796.30	J/mol×K	891.94	Joback Calculated Property
η	[0.0000853; 0.0016598]	Pa×s	[373.89; 701.32]
η	0.0016598	Pa×s	373.89	Joback Calculated Property
η	0.0007385	Pa×s	428.46	Joback Calculated Property
η	0.0003946	Pa×s	483.03	Joback Calculated Property
η	0.0002394	Pa×s	537.61	Joback Calculated Property
η	0.0001593	Pa×s	592.18	Joback Calculated Property
η	0.0001135	Pa×s	646.75	Joback Calculated Property
η	0.0000853	Pa×s	701.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to o-Toluic acid, decyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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