Chemical Properties of Terephthalic acid, pentyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C21H32O4/c1-6-7-8-13-24-19(22)17-9-11-18(12-10-17)20(23)25-15-16(2)14-21(3,4)5/h9-12,16H,6-8,13-15H2,1-5H3

InChI Key

YICIULMMOSOOSI-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCCOC(=O)c1ccc(C(=O)OCC(C)CC(C)(C)C)cc1

Molecular Weight¹

348.48

• 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	0.9334		Relay (1.0) Calculated Property
ΔfG°	-238.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-891.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.43	kJ/mol	Joback Calculated Property
ΔvapH°	94.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	5.263		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1276.42	kPa	Joback Calculated Property
Inp	[2561.00; 2561.00]
Inp	2561.00		NIST
Inp	2561.00		NIST
Tboil	643.54	K	Relay (1.0) Calculated Property
Tc	831.42	K	Relay (1.0) Calculated Property
Tfus	307.30	K	Relay (1.0) Calculated Property
Vc	1.092	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[938.43; 1020.73]	J/mol×K	[860.45; 1067.71]
Cp,gas	938.43	J/mol×K	860.45	Joback Calculated Property
Cp,gas	955.02	J/mol×K	894.99	Joback Calculated Property
Cp,gas	970.40	J/mol×K	929.54	Joback Calculated Property
Cp,gas	984.62	J/mol×K	964.08	Joback Calculated Property
Cp,gas	997.72	J/mol×K	998.62	Joback Calculated Property
Cp,gas	1009.74	J/mol×K	1033.16	Joback Calculated Property
Cp,gas	1020.73	J/mol×K	1067.71	Joback Calculated Property
η	[0.0000343; 0.0005578]	Pa×s	[497.11; 860.45]
η	0.0005578	Pa×s	497.11	Joback Calculated Property
η	0.0002722	Pa×s	557.67	Joback Calculated Property
η	0.0001529	Pa×s	618.22	Joback Calculated Property
η	0.0000952	Pa×s	678.78	Joback Calculated Property
η	0.0000640	Pa×s	739.34	Joback Calculated Property
η	0.0000457	Pa×s	799.89	Joback Calculated Property
η	0.0000343	Pa×s	860.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, pentyl 2,4,4-trimethylpentyl ester.

Sources

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

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