Chemical Properties of 1,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, METHYL ESTER

InChI

InChI=1S/C8H10O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3

InChI Key

MQVGWLAOVAXSOP-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

COC(=O)C1=CCC=CC1

Molecular Weight¹

138.17

Other Names

• Methyl 2,5-dihydrobenzoate

• 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).
• 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	-196.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.66	kJ/mol	Joback Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-1.68		Relay (1.0) Calculated Property
logPoct/wat	1.436		Crippen Calculated Property
McVol	111.560	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[1324.00; 1324.00]
Inp	1324.00		NIST
Inp	1324.00		NIST
Tboil	464.16	K	Relay (1.0) Calculated Property
Tfus	253.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[226.52; 294.93]	J/mol×K	[468.38; 682.57]
Cp,gas	226.52	J/mol×K	468.38	Joback Calculated Property
Cp,gas	239.71	J/mol×K	504.08	Joback Calculated Property
Cp,gas	252.17	J/mol×K	539.78	Joback Calculated Property
Cp,gas	263.91	J/mol×K	575.48	Joback Calculated Property
Cp,gas	274.94	J/mol×K	611.18	Joback Calculated Property
Cp,gas	285.28	J/mol×K	646.88	Joback Calculated Property
Cp,gas	294.93	J/mol×K	682.57	Joback Calculated Property
η	[0.0002318; 0.0046789]	Pa×s	[247.91; 468.38]
η	0.0046789	Pa×s	247.91	Joback Calculated Property
η	0.0020524	Pa×s	284.65	Joback Calculated Property
η	0.0010869	Pa×s	321.40	Joback Calculated Property
η	0.0006558	Pa×s	358.14	Joback Calculated Property
η	0.0004347	Pa×s	394.89	Joback Calculated Property
η	0.0003091	Pa×s	431.63	Joback Calculated Property
η	0.0002318	Pa×s	468.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-CYCLOHEXADIENE-1-CARBOXYLIC ACID, METHYL 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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