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

InChI

InChI=1S/C34H58O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-37-32(35)30-24-21-22-25-31(30)33(36)38-28-29(2)27-34(3,4)5/h21-22,24-25,29H,6-20,23,26-28H2,1-5H3

InChI Key

YCWOUWJQUNXFGN-UHFFFAOYSA-N

Formula

C34H58O4

SMILES

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

Molecular Weight¹

530.83

• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.94; 1670.08]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.29610e+01
Coefficient B			3.11760e+00
Coefficient C			-1.77576e-03
Coefficient D			3.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	702.94	J/mol×K	273.00	Calculated Property
Cp,gas	873.28	J/mol×K	353.78	Calculated Property
Cp,gas	1025.30	J/mol×K	434.56	Calculated Property
Cp,gas	1160.12	J/mol×K	515.33	Calculated Property
Cp,gas	1278.86	J/mol×K	596.11	Calculated Property
Cp,gas	1382.61	J/mol×K	676.89	Calculated Property
Cp,gas	1472.50	J/mol×K	757.67	Calculated Property
Cp,gas	1549.64	J/mol×K	838.44	Calculated Property
Cp,gas	1615.13	J/mol×K	919.22	Calculated Property
Cp,gas	1670.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001323; 0.0000056]	Pa×s	[583.96; 981.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.67256e+01
Coefficient B			4.55184e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			583.96
Temperature range, max.			981.13
η	0.0001323	Pa×s	583.96	Calculated Property
η	0.0000765	Pa×s	628.09	Calculated Property
η	0.0000475	Pa×s	672.22	Calculated Property
η	0.0000313	Pa×s	716.35	Calculated Property
η	0.0000217	Pa×s	760.48	Calculated Property
η	0.0000156	Pa×s	804.61	Calculated Property
η	0.0000116	Pa×s	848.74	Calculated Property
η	0.0000089	Pa×s	892.87	Calculated Property
η	0.0000070	Pa×s	937.00	Calculated Property
η	0.0000056	Pa×s	981.13	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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