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

InChI

InChI=1S/C27H42O4/c1-5-6-7-8-9-10-11-19-30-25(28)21-13-12-14-22(20-21)26(29)31-24-17-15-23(16-18-24)27(2,3)4/h12-14,20,23-24H,5-11,15-19H2,1-4H3

InChI Key

SHJCJMZDTBDSCM-UHFFFAOYSA-N

Formula

C27H42O4

SMILES

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

Molecular Weight¹

430.62

• 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	1.0432		Relay (1.0) Calculated Property
ΔfG°	-169.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.40	kJ/mol	Joback Calculated Property
ΔvapH°	115.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-7.43		Relay (1.0) Calculated Property
logPoct/wat	7.356		Crippen Calculated Property
McVol	371.550	ml/mol	McGowan Calculated Property
Pc	969.88	kPa	Joback Calculated Property
Inp	[3233.00; 3233.00]
Inp	3233.00		NIST
Inp	3233.00		NIST
Tboil	698.99	K	Relay (1.0) Calculated Property
Tc	924.25	K	Relay (1.0) Calculated Property
Tfus	345.46	K	Relay (1.0) Calculated Property
Vc	1.351	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1305.17; 1382.07]	J/mol×K	[1013.05; 1241.89]
Cp,gas	1305.17	J/mol×K	1013.05	Joback Calculated Property
Cp,gas	1322.10	J/mol×K	1051.19	Joback Calculated Property
Cp,gas	1337.28	J/mol×K	1089.33	Joback Calculated Property
Cp,gas	1350.79	J/mol×K	1127.47	Joback Calculated Property
Cp,gas	1362.70	J/mol×K	1165.61	Joback Calculated Property
Cp,gas	1373.10	J/mol×K	1203.75	Joback Calculated Property
Cp,gas	1382.07	J/mol×K	1241.89	Joback Calculated Property
η	[0.0000203; 0.0002989]	Pa×s	[582.87; 1013.05]
η	0.0002989	Pa×s	582.87	Joback Calculated Property
η	0.0001494	Pa×s	654.57	Joback Calculated Property
η	0.0000857	Pa×s	726.26	Joback Calculated Property
η	0.0000543	Pa×s	797.96	Joback Calculated Property
η	0.0000371	Pa×s	869.66	Joback Calculated Property
η	0.0000268	Pa×s	941.35	Joback Calculated Property
η	0.0000203	Pa×s	1013.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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