Chemical Properties of Phthalic acid, 4-methylpent-2-yl pentadecyl ester

InChI

InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28(30)26-20-17-18-21-27(26)29(31)33-25(4)23-24(2)3/h17-18,20-21,24-25H,5-16,19,22-23H2,1-4H3

InChI Key

SCXVGHCETZEDIL-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C)CC(C)C

Molecular Weight¹

460.69

• 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	1.2525		Relay (1.0) Calculated Property
ΔfH°gas	-1037.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.21	kJ/mol	Joback Calculated Property
ΔvapH°	126.87	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.05		Relay (1.0) Calculated Property
logPoct/wat	8.526		Crippen Calculated Property
McVol	410.590	ml/mol	McGowan Calculated Property
Pc	746.51	kPa	Joback Calculated Property
Inp	[3123.00; 3123.00]
Inp	3123.00		NIST
Inp	3123.00		NIST
Tboil	683.62	K	Relay (1.0) Calculated Property
Tc	893.81	K	Relay (1.0) Calculated Property
Tfus	276.21	K	Relay (1.0) Calculated Property
Vc	1.544	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	[1416.40; 1497.77]	J/mol×K	[1010.34; 1240.41]
Cp,gas	1416.40	J/mol×K	1010.34	Joback Calculated Property
Cp,gas	1434.46	J/mol×K	1048.68	Joback Calculated Property
Cp,gas	1450.62	J/mol×K	1087.03	Joback Calculated Property
Cp,gas	1464.96	J/mol×K	1125.37	Joback Calculated Property
Cp,gas	1477.54	J/mol×K	1163.72	Joback Calculated Property
Cp,gas	1488.46	J/mol×K	1202.06	Joback Calculated Property
Cp,gas	1497.77	J/mol×K	1240.41	Joback Calculated Property
η	[0.0000089; 0.0003818]	Pa×s	[510.19; 1010.34]
η	0.0003818	Pa×s	510.19	Joback Calculated Property
η	0.0001313	Pa×s	593.55	Joback Calculated Property
η	0.0000587	Pa×s	676.91	Joback Calculated Property
η	0.0000313	Pa×s	760.26	Joback Calculated Property
η	0.0000189	Pa×s	843.62	Joback Calculated Property
η	0.0000125	Pa×s	926.98	Joback Calculated Property
η	0.0000089	Pa×s	1010.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 4-methylpent-2-yl pentadecyl ester.

Sources

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

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