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

InChI

InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-17-28-23(26)21-13-15-22(16-14-21)24(27)29-19-20(2)18-25(3,4)5/h13-16,20H,6-12,17-19H2,1-5H3

InChI Key

DCOGUEDJNKVDNV-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

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

Molecular Weight¹

404.58

• 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	1.0865		Relay (1.0) Calculated Property
ΔfG°	-205.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-973.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.79	kJ/mol	Joback Calculated Property
ΔvapH°	109.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-7.42		Relay (1.0) Calculated Property
logPoct/wat	6.823		Crippen Calculated Property
McVol	354.230	ml/mol	McGowan Calculated Property
Pc	987.02	kPa	Joback Calculated Property
Inp	[2975.00; 2975.00]
Inp	2975.00		NIST
Inp	2975.00		NIST
Tboil	672.73	K	Relay (1.0) Calculated Property
Tc	863.99	K	Relay (1.0) Calculated Property
Tfus	311.43	K	Relay (1.0) Calculated Property
Vc	1.313	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1181.74; 1266.05]	J/mol×K	[951.97; 1166.67]
Cp,gas	1181.74	J/mol×K	951.97	Joback Calculated Property
Cp,gas	1198.99	J/mol×K	987.75	Joback Calculated Property
Cp,gas	1214.88	J/mol×K	1023.54	Joback Calculated Property
Cp,gas	1229.46	J/mol×K	1059.32	Joback Calculated Property
Cp,gas	1242.81	J/mol×K	1095.10	Joback Calculated Property
Cp,gas	1254.98	J/mol×K	1130.89	Joback Calculated Property
Cp,gas	1266.05	J/mol×K	1166.67	Joback Calculated Property
η	[0.0000185; 0.0003378]	Pa×s	[542.19; 951.97]
η	0.0003378	Pa×s	542.19	Joback Calculated Property
η	0.0001587	Pa×s	610.49	Joback Calculated Property
η	0.0000868	Pa×s	678.78	Joback Calculated Property
η	0.0000530	Pa×s	747.08	Joback Calculated Property
η	0.0000352	Pa×s	815.38	Joback Calculated Property
η	0.0000249	Pa×s	883.67	Joback Calculated Property
η	0.0000185	Pa×s	951.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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