Chemical Properties of Phthalic acid, 2,4-dimethylpent-3-yl pentadecyl ester

InChI

InChI=1S/C30H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-29(31)26-21-18-19-22-27(26)30(32)34-28(24(2)3)25(4)5/h18-19,21-22,24-25,28H,6-17,20,23H2,1-5H3

InChI Key

MUDGAJVXWSJWKM-UHFFFAOYSA-N

Formula

C30H50O4

SMILES

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

Molecular Weight¹

474.73

• 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	1.2581		Relay (1.0) Calculated Property
ΔfH°gas	-1036.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.28	kJ/mol	Joback Calculated Property
ΔvapH°	126.55	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.25		Relay (1.0) Calculated Property
logPoct/wat	8.772		Crippen Calculated Property
McVol	424.680	ml/mol	McGowan Calculated Property
Pc	711.87	kPa	Joback Calculated Property
Inp	[3207.00; 3207.00]
Inp	3207.00		NIST
Inp	3207.00		NIST
Tboil	694.73	K	Relay (1.0) Calculated Property
Tc	905.26	K	Relay (1.0) Calculated Property
Tfus	284.20	K	Relay (1.0) Calculated Property
Vc	1.576	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	[1479.96; 1559.91]	J/mol×K	[1032.78; 1269.90]
Cp,gas	1479.96	J/mol×K	1032.78	Joback Calculated Property
Cp,gas	1498.08	J/mol×K	1072.30	Joback Calculated Property
Cp,gas	1514.17	J/mol×K	1111.82	Joback Calculated Property
Cp,gas	1528.31	J/mol×K	1151.34	Joback Calculated Property
Cp,gas	1540.59	J/mol×K	1190.86	Joback Calculated Property
Cp,gas	1551.10	J/mol×K	1230.38	Joback Calculated Property
Cp,gas	1559.91	J/mol×K	1269.90	Joback Calculated Property
η	[0.0000068; 0.0003870]	Pa×s	[506.46; 1032.78]
η	0.0003870	Pa×s	506.46	Joback Calculated Property
η	0.0001202	Pa×s	594.18	Joback Calculated Property
η	0.0000505	Pa×s	681.90	Joback Calculated Property
η	0.0000258	Pa×s	769.62	Joback Calculated Property
η	0.0000151	Pa×s	857.34	Joback Calculated Property
η	0.0000098	Pa×s	945.06	Joback Calculated Property
η	0.0000068	Pa×s	1032.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,4-dimethylpent-3-yl pentadecyl ester.

Sources

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

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