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

InChI

InChI=1S/C25H38O4/c1-5-6-7-8-9-17-28-23(26)19-11-10-12-20(18-19)24(27)29-22-15-13-21(14-16-22)25(2,3)4/h10-12,18,21-22H,5-9,13-17H2,1-4H3

InChI Key

OBHHQKJWHXWKBL-UHFFFAOYSA-N

Formula

C25H38O4

SMILES

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

Molecular Weight¹

402.57

• 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	0.9633		Relay (... Calculated Property
ΔfG°	-185.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-887.44	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.22	kJ/mol	Joback Calculated Property
ΔvapH°	107.90	kJ/mol	Relay (... Calculated Property
IE	9.07	eV	Relay (... Calculated Property
log10WS	-6.86		Relay (... Calculated Property
logPoct/wat	6.575		Crippen Calculated Property
McVol	343.370	ml/mol	McGowan Calculated Property
Pc	1097.17	kPa	Joback Calculated Property
Inp	[3026.00; 3026.00]
Inp	3026.00		NIST
Inp	3026.00		NIST
Tboil	685.51	K	Relay (... Calculated Property
Tc	909.21	K	Relay (... Calculated Property
Tfus	344.67	K	Relay (... Calculated Property
Vc	1.244	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1180.72; 1259.56]	J/mol×K	[967.29; 1191.51]
Cp,gas	1180.72	J/mol×K	967.29	Joback Calculated Property
Cp,gas	1197.81	J/mol×K	1004.66	Joback Calculated Property
Cp,gas	1213.24	J/mol×K	1042.03	Joback Calculated Property
Cp,gas	1227.06	J/mol×K	1079.40	Joback Calculated Property
Cp,gas	1239.34	J/mol×K	1116.77	Joback Calculated Property
Cp,gas	1250.15	J/mol×K	1154.14	Joback Calculated Property
Cp,gas	1259.56	J/mol×K	1191.51	Joback Calculated Property
η	[0.0000277; 0.0003835]	Pa×s	[560.33; 967.29]
η	0.0003835	Pa×s	560.33	Joback Calculated Property
η	0.0001953	Pa×s	628.16	Joback Calculated Property
η	0.0001135	Pa×s	695.98	Joback Calculated Property
η	0.0000726	Pa×s	763.81	Joback Calculated Property
η	0.0000500	Pa×s	831.64	Joback Calculated Property
η	0.0000364	Pa×s	899.46	Joback Calculated Property
η	0.0000277	Pa×s	967.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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