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

InChI

InChI=1S/C22H34O4/c1-6-7-8-9-14-25-20(23)18-10-12-19(13-11-18)21(24)26-16-17(2)15-22(3,4)5/h10-13,17H,6-9,14-16H2,1-5H3

InChI Key

NOMNXOSRCGZZDQ-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

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

Molecular Weight¹

362.50

• 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	0.9730		Relay (1.0) Calculated Property
ΔfG°	-230.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-911.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.02	kJ/mol	Joback Calculated Property
ΔvapH°	98.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-6.57		Relay (1.0) Calculated Property
logPoct/wat	5.653		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Pc	1193.17	kPa	Joback Calculated Property
Inp	[2662.00; 2662.00]
Inp	2662.00		NIST
Inp	2662.00		NIST
Tboil	651.30	K	Relay (1.0) Calculated Property
Tc	840.24	K	Relay (1.0) Calculated Property
Tfus	307.24	K	Relay (1.0) Calculated Property
Vc	1.148	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[998.32; 1081.10]	J/mol×K	[883.33; 1091.23]
Cp,gas	998.32	J/mol×K	883.33	Joback Calculated Property
Cp,gas	1015.05	J/mol×K	917.98	Joback Calculated Property
Cp,gas	1030.54	J/mol×K	952.63	Joback Calculated Property
Cp,gas	1044.85	J/mol×K	987.28	Joback Calculated Property
Cp,gas	1058.01	J/mol×K	1021.93	Joback Calculated Property
Cp,gas	1070.07	J/mol×K	1056.58	Joback Calculated Property
Cp,gas	1081.10	J/mol×K	1091.23	Joback Calculated Property
η	[0.0000294; 0.0004944]	Pa×s	[508.38; 883.33]
η	0.0004944	Pa×s	508.38	Joback Calculated Property
η	0.0002388	Pa×s	570.87	Joback Calculated Property
η	0.0001332	Pa×s	633.36	Joback Calculated Property
η	0.0000825	Pa×s	695.86	Joback Calculated Property
η	0.0000553	Pa×s	758.35	Joback Calculated Property
η	0.0000394	Pa×s	820.84	Joback Calculated Property
η	0.0000294	Pa×s	883.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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