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

InChI

InChI=1S/C16H22O2/c1-4-5-6-7-10-14(3)18-16(17)15-11-8-9-13(2)12-15/h7-12,14H,4-6H2,1-3H3/b10-7+

InChI Key

LZHUDNPJQUBRGF-JXMROGBWSA-N

Formula

C16H22O2

SMILES

CCCC/C=C/C(C)OC(=O)c1cccc(C)c1

Molecular Weight¹

246.35

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔfusH°	31.90	kJ/mol	Joback Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
logPoct/wat	4.287		Crippen Calculated Property
McVol	215.680	ml/mol	McGowan Calculated Property
Inp	[1797.40; 1797.40]
Inp	1797.40		NIST
Inp	1797.40		NIST
Tboil	562.11	K	Relay (1.0) Calculated Property
Tfus	252.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 m-Toluic acid, oct-3-en-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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