Chemical Properties of Isophthalic acid, octyl 4-tert-butylcyclohexyl ester

InChI

InChI=1S/C26H40O4/c1-5-6-7-8-9-10-18-29-24(27)20-12-11-13-21(19-20)25(28)30-23-16-14-22(15-17-23)26(2,3)4/h11-13,19,22-23H,5-10,14-18H2,1-4H3

InChI Key

FEGDZDGBNXUQAY-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

CCCCCCCCOC(=O)c1cccc(C(=O)OC2CCC(C(C)(C)C)CC2)c1

Molecular Weight¹

416.59

• 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	1.0032		Relay (1.0) Calculated Property
ΔfG°	-177.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-907.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.81	kJ/mol	Joback Calculated Property
ΔvapH°	111.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-7.15		Relay (1.0) Calculated Property
logPoct/wat	6.966		Crippen Calculated Property
McVol	357.460	ml/mol	McGowan Calculated Property
Pc	1030.59	kPa	Joback Calculated Property
Inp	[3131.00; 3131.00]
Inp	3131.00		NIST
Inp	3131.00		NIST
Tboil	692.34	K	Relay (1.0) Calculated Property
Tc	916.73	K	Relay (1.0) Calculated Property
Tfus	344.94	K	Relay (1.0) Calculated Property
Vc	1.297	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1242.76; 1320.62]	J/mol×K	[990.17; 1216.23]
Cp,gas	1242.76	J/mol×K	990.17	Joback Calculated Property
Cp,gas	1259.76	J/mol×K	1027.85	Joback Calculated Property
Cp,gas	1275.06	J/mol×K	1065.52	Joback Calculated Property
Cp,gas	1288.72	J/mol×K	1103.20	Joback Calculated Property
Cp,gas	1300.81	J/mol×K	1140.87	Joback Calculated Property
Cp,gas	1311.42	J/mol×K	1178.55	Joback Calculated Property
Cp,gas	1320.62	J/mol×K	1216.23	Joback Calculated Property
η	[0.0000238; 0.0003390]	Pa×s	[571.60; 990.17]
η	0.0003390	Pa×s	571.60	Joback Calculated Property
η	0.0001711	Pa×s	641.36	Joback Calculated Property
η	0.0000987	Pa×s	711.12	Joback Calculated Property
η	0.0000628	Pa×s	780.88	Joback Calculated Property
η	0.0000431	Pa×s	850.65	Joback Calculated Property
η	0.0000313	Pa×s	920.41	Joback Calculated Property
η	0.0000238	Pa×s	990.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, octyl 4-tert-butylcyclohexyl ester.

Sources

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

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