Chemical Properties of o-Toluic acid, oct-3-en-2-yl ester

InChI

InChI=1S/C16H22O2/c1-4-5-6-7-11-14(3)18-16(17)15-12-9-8-10-13(15)2/h7-12,14H,4-6H2,1-3H3/b11-7+

InChI Key

ZOUJUFRWFUFFRJ-YRNVUSSQSA-N

Formula

C16H22O2

SMILES

CCCC/C=C/C(C)OC(=O)c1ccccc1C

Molecular Weight¹

246.35

Other Names

• o-toluylic acid, oct-3-en-2-yl ester

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-369.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.90	kJ/mol	Joback Calculated Property
ΔvapH°	81.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	4.287		Crippen Calculated Property
McVol	215.680	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
Inp	[1770.50; 1770.50]
Inp	1770.50		NIST
Inp	1770.50		NIST
Tboil	555.36	K	Relay (1.0) Calculated Property
Tfus	245.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.14; 660.17]	J/mol×K	[659.28; 863.98]
Cp,gas	572.14	J/mol×K	659.28	Joback Calculated Property
Cp,gas	589.30	J/mol×K	693.40	Joback Calculated Property
Cp,gas	605.41	J/mol×K	727.51	Joback Calculated Property
Cp,gas	620.51	J/mol×K	761.63	Joback Calculated Property
Cp,gas	634.65	J/mol×K	795.75	Joback Calculated Property
Cp,gas	647.85	J/mol×K	829.86	Joback Calculated Property
Cp,gas	660.17	J/mol×K	863.98	Joback Calculated Property
η	[0.0000865; 0.0023667]	Pa×s	[331.27; 659.28]
η	0.0023667	Pa×s	331.27	Joback Calculated Property
η	0.0009227	Pa×s	385.94	Joback Calculated Property
η	0.0004544	Pa×s	440.61	Joback Calculated Property
η	0.0002617	Pa×s	495.27	Joback Calculated Property
η	0.0001682	Pa×s	549.94	Joback Calculated Property
η	0.0001171	Pa×s	604.61	Joback Calculated Property
η	0.0000865	Pa×s	659.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to o-Toluic acid, oct-3-en-2-yl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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