Chemical Properties of Isophthalic acid, 3,5-dimethylcyclohexyl ethyl ester

InChI

InChI=1S/C18H24O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-9-12(2)8-13(3)10-16/h5-7,11-13,16H,4,8-10H2,1-3H3

InChI Key

XBWDZWGQHVMWII-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CCOC(=O)c1cccc(C(=O)OC2CC(C)CC(C)C2)c1

Molecular Weight¹

304.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.7376		Relay (1.0) Calculated Property
ΔfG°	-255.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-789.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.58	kJ/mol	Joback Calculated Property
ΔvapH°	91.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	3.845		Crippen Calculated Property
McVol	244.740	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[2319.00; 2319.00]
Inp	2319.00		NIST
Inp	2319.00		NIST
Tboil	633.72	K	Relay (1.0) Calculated Property
Tc	845.12	K	Relay (1.0) Calculated Property
Tfus	293.45	K	Relay (1.0) Calculated Property
Vc	0.891	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.00; 847.72]	J/mol×K	[805.69; 1028.90]
Cp,gas	763.00	J/mol×K	805.69	Joback Calculated Property
Cp,gas	780.94	J/mol×K	842.89	Joback Calculated Property
Cp,gas	797.34	J/mol×K	880.09	Joback Calculated Property
Cp,gas	812.21	J/mol×K	917.29	Joback Calculated Property
Cp,gas	825.56	J/mol×K	954.50	Joback Calculated Property
Cp,gas	837.40	J/mol×K	991.70	Joback Calculated Property
Cp,gas	847.72	J/mol×K	1028.90	Joback Calculated Property
η	[0.0001214; 0.0009295]	Pa×s	[474.78; 805.69]
η	0.0009295	Pa×s	474.78	Joback Calculated Property
η	0.0005549	Pa×s	529.93	Joback Calculated Property
η	0.0003652	Pa×s	585.08	Joback Calculated Property
η	0.0002582	Pa×s	640.24	Joback Calculated Property
η	0.0001930	Pa×s	695.39	Joback Calculated Property
η	0.0001505	Pa×s	750.54	Joback Calculated Property
η	0.0001214	Pa×s	805.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,5-dimethylcyclohexyl ethyl ester.

Sources

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

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