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_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	1.3260		Relay (1.0) Calculated Property
ΔfG°	-146.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1103.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.93	kJ/mol	Joback Calculated Property
ΔvapH°	131.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	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	672.90	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	915.65	K	Relay (1.0) Calculated Property
Tfus	289.94	K	Relay (1.0) Calculated Property
Vc	1.693	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1625.54; 1717.42]	J/mol×K	[1112.13; 1379.62]
Cp,gas	1625.54	J/mol×K	1112.13	Joback Calculated Property
Cp,gas	1645.34	J/mol×K	1156.71	Joback Calculated Property
Cp,gas	1663.13	J/mol×K	1201.29	Joback Calculated Property
Cp,gas	1679.06	J/mol×K	1245.87	Joback Calculated Property
Cp,gas	1693.31	J/mol×K	1290.46	Joback Calculated Property
Cp,gas	1706.04	J/mol×K	1335.04	Joback Calculated Property
Cp,gas	1717.42	J/mol×K	1379.62	Joback Calculated Property
η	[0.0000059; 0.0001278]	Pa×s	[621.08; 1112.13]
η	0.0001278	Pa×s	621.08	Joback Calculated Property
η	0.0000568	Pa×s	702.92	Joback Calculated Property
η	0.0000299	Pa×s	784.76	Joback Calculated Property
η	0.0000178	Pa×s	866.61	Joback Calculated Property
η	0.0000116	Pa×s	948.45	Joback Calculated Property
η	0.0000081	Pa×s	1030.29	Joback Calculated Property
η	0.0000059	Pa×s	1112.13	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

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