Chemical Properties of Phthalic acid, hexadecyl 2-methylbenzyl ester

InChI

InChI=1S/C32H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-35-31(33)29-23-18-19-24-30(29)32(34)36-26-28-22-17-16-21-27(28)2/h16-19,21-24H,3-15,20,25-26H2,1-2H3

InChI Key

RZSOXFATAWPBPH-UHFFFAOYSA-N

Formula

C32H46O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C

Molecular Weight¹

494.71

• 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	1.3459		Relay (1.0) Calculated Property
ΔfH°gas	-837.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.51	kJ/mol	Joback Calculated Property
ΔvapH°	145.97	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.77		Relay (1.0) Calculated Property
logPoct/wat	8.990		Crippen Calculated Property
McVol	429.100	ml/mol	McGowan Calculated Property
Pc	786.39	kPa	Joback Calculated Property
Inp	[3565.00; 3565.00]
Inp	3565.00		NIST
Inp	3565.00		NIST
Tboil	734.97	K	Relay (1.0) Calculated Property
Tc	976.93	K	Relay (1.0) Calculated Property
Tfus	307.76	K	Relay (1.0) Calculated Property
Vc	1.607	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	[1508.60; 1571.57]	J/mol×K	[1147.46; 1416.05]
Cp,gas	1508.60	J/mol×K	1147.46	Joback Calculated Property
Cp,gas	1523.83	J/mol×K	1192.22	Joback Calculated Property
Cp,gas	1536.99	J/mol×K	1236.99	Joback Calculated Property
Cp,gas	1548.22	J/mol×K	1281.75	Joback Calculated Property
Cp,gas	1557.64	J/mol×K	1326.52	Joback Calculated Property
Cp,gas	1565.38	J/mol×K	1371.28	Joback Calculated Property
Cp,gas	1571.57	J/mol×K	1416.05	Joback Calculated Property
η	[0.0000096; 0.0001143]	Pa×s	[672.60; 1147.46]
η	0.0001143	Pa×s	672.60	Joback Calculated Property
η	0.0000609	Pa×s	751.74	Joback Calculated Property
η	0.0000366	Pa×s	830.89	Joback Calculated Property
η	0.0000240	Pa×s	910.03	Joback Calculated Property
η	0.0000168	Pa×s	989.17	Joback Calculated Property
η	0.0000125	Pa×s	1068.32	Joback Calculated Property
η	0.0000096	Pa×s	1147.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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