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

InChI

InChI=1S/C32H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-35-30(33)28-22-19-20-23-29(28)31(34)36-26-27(2)25-32(3,4)5/h19-20,22-23,27H,6-18,21,24-26H2,1-5H3

InChI Key

QNGDPTOSQFDMBS-UHFFFAOYSA-N

Formula

C32H54O4

SMILES

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

Molecular Weight¹

502.77

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	1.3260		Relay (1.0) Calculated Property
ΔfH°gas	-1103.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.09	kJ/mol	Joback Calculated Property
ΔvapH°	132.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.33		Relay (1.0) Calculated Property
logPoct/wat	9.554		Crippen Calculated Property
McVol	452.860	ml/mol	McGowan Calculated Property
Pc	645.16	kPa	Joback Calculated Property
Inp	[3381.00; 3381.00]
Inp	3381.00		NIST
Inp	3381.00		NIST
Tboil	715.43	K	Relay (1.0) Calculated Property
Tc	918.62	K	Relay (1.0) Calculated Property
Tfus	283.92	K	Relay (1.0) Calculated Property
Vc	1.695	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1606.94; 1694.31]	J/mol×K	[1076.19; 1330.76]
Cp,gas	1606.94	J/mol×K	1076.19	Joback Calculated Property
Cp,gas	1626.12	J/mol×K	1118.62	Joback Calculated Property
Cp,gas	1643.25	J/mol×K	1161.05	Joback Calculated Property
Cp,gas	1658.48	J/mol×K	1203.47	Joback Calculated Property
Cp,gas	1671.97	J/mol×K	1245.90	Joback Calculated Property
Cp,gas	1683.86	J/mol×K	1288.33	Joback Calculated Property
Cp,gas	1694.31	J/mol×K	1330.76	Joback Calculated Property
η	[0.0000044; 0.0001824]	Pa×s	[561.42; 1076.19]
η	0.0001824	Pa×s	561.42	Joback Calculated Property
η	0.0000651	Pa×s	647.22	Joback Calculated Property
η	0.0000296	Pa×s	733.01	Joback Calculated Property
η	0.0000158	Pa×s	818.80	Joback Calculated Property
η	0.0000096	Pa×s	904.60	Joback Calculated Property
η	0.0000063	Pa×s	990.39	Joback Calculated Property
η	0.0000044	Pa×s	1076.19	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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