Chemical Properties of Isophthalic acid, ethyl 2-methylcyclohexyl ester

InChI

InChI=1S/C17H22O4/c1-3-20-16(18)13-8-6-9-14(11-13)17(19)21-15-10-5-4-7-12(15)2/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3

InChI Key

KXZMUFYBAJVJCQ-UHFFFAOYSA-N

Formula

C17H22O4

SMILES

CCOC(=O)c1cccc(C(=O)OC2CCCCC2C)c1

Molecular Weight¹

290.36

• ω : Acentric Factor.
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7270		Relay (1.0) Calculated Property
ΔfusH°	35.08	kJ/mol	Joback Calculated Property
ΔvapH°	89.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.599		Crippen Calculated Property
McVol	230.650	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[2232.00; 2232.00]
Inp	2232.00		NIST
Inp	2232.00		NIST
Tboil	633.21	K	Relay (1.0) Calculated Property
Tc	849.18	K	Relay (1.0) Calculated Property
Tfus	291.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[689.82; 776.28]	J/mol×K	[751.54; 974.42]
Cp,gas	689.82	J/mol×K	751.54	Joback Calculated Property
Cp,gas	708.05	J/mol×K	788.69	Joback Calculated Property
Cp,gas	724.73	J/mol×K	825.83	Joback Calculated Property
Cp,gas	739.87	J/mol×K	862.98	Joback Calculated Property
Cp,gas	753.50	J/mol×K	900.13	Joback Calculated Property
Cp,gas	765.63	J/mol×K	937.28	Joback Calculated Property
Cp,gas	776.28	J/mol×K	974.42	Joback Calculated Property
η	[0.0000842; 0.0014636]	Pa×s	[408.09; 751.54]
η	0.0014636	Pa×s	408.09	Joback Calculated Property
η	0.0006787	Pa×s	465.33	Joback Calculated Property
η	0.0003724	Pa×s	522.57	Joback Calculated Property
η	0.0002301	Pa×s	579.81	Joback Calculated Property
η	0.0001550	Pa×s	637.06	Joback Calculated Property
η	0.0001114	Pa×s	694.30	Joback Calculated Property
η	0.0000842	Pa×s	751.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, ethyl 2-methylcyclohexyl ester.

Sources

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

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