Chemical Properties of Phthalic acid, tetradecyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C30H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-33-28(31)26-20-17-18-21-27(26)29(32)34-24-25(2)23-30(3,4)5/h17-18,20-21,25H,6-16,19,22-24H2,1-5H3

InChI Key

ZBDCGJHQAMMZQX-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

CCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

474.72

• 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	1.2550		Relay (1.0) Calculated Property
ΔfG°	-162.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1061.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.74	kJ/mol	Joback Calculated Property
ΔvapH°	123.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-8.75		Relay (1.0) Calculated Property
logPoct/wat	8.774		Crippen Calculated Property
McVol	424.680	ml/mol	McGowan Calculated Property
Pc	745.29	kPa	Joback Calculated Property
Inp	[3175.00; 3175.00]
Inp	3175.00		NIST
Inp	3175.00		NIST
Tboil	702.25	K	Relay (1.0) Calculated Property
Tc	902.33	K	Relay (1.0) Calculated Property
Tfus	286.13	K	Relay (1.0) Calculated Property
Vc	1.584	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1497.02; 1585.83]	J/mol×K	[1066.37; 1312.45]
Cp,gas	1497.02	J/mol×K	1066.37	Joback Calculated Property
Cp,gas	1515.83	J/mol×K	1107.38	Joback Calculated Property
Cp,gas	1532.87	J/mol×K	1148.40	Joback Calculated Property
Cp,gas	1548.28	J/mol×K	1189.41	Joback Calculated Property
Cp,gas	1562.16	J/mol×K	1230.42	Joback Calculated Property
Cp,gas	1574.63	J/mol×K	1271.44	Joback Calculated Property
Cp,gas	1585.83	J/mol×K	1312.45	Joback Calculated Property
η	[0.0000082; 0.0001704]	Pa×s	[598.54; 1066.37]
η	0.0001704	Pa×s	598.54	Joback Calculated Property
η	0.0000769	Pa×s	676.51	Joback Calculated Property
η	0.0000409	Pa×s	754.48	Joback Calculated Property
η	0.0000245	Pa×s	832.45	Joback Calculated Property
η	0.0000160	Pa×s	910.43	Joback Calculated Property
η	0.0000112	Pa×s	988.40	Joback Calculated Property
η	0.0000082	Pa×s	1066.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, tetradecyl 2,4,4-trimethylpentyl ester.

Sources

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

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