Chemical Properties of Dimethylmalonic acid, dodecyl 3-phenylpropyl ester

InChI

InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-16-21-29-24(27)26(2,3)25(28)30-22-17-20-23-18-14-13-15-19-23/h13-15,18-19H,4-12,16-17,20-22H2,1-3H3

InChI Key

QPFJTHGMDKGRNC-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1

Molecular Weight¹

418.62

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.00; 1259.85]	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			-2.83060e+01
Coefficient B			2.41116e+00
Coefficient C			-1.40440e-03
Coefficient D			2.81400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	531.00	J/mol×K	273.00	Calculated Property
Cp,gas	661.40	J/mol×K	353.78	Calculated Property
Cp,gas	777.36	J/mol×K	434.56	Calculated Property
Cp,gas	879.79	J/mol×K	515.33	Calculated Property
Cp,gas	969.57	J/mol×K	596.11	Calculated Property
Cp,gas	1047.59	J/mol×K	676.89	Calculated Property
Cp,gas	1114.73	J/mol×K	757.67	Calculated Property
Cp,gas	1171.90	J/mol×K	838.44	Calculated Property
Cp,gas	1219.98	J/mol×K	919.22	Calculated Property
Cp,gas	1259.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004761; 0.0000256]	Pa×s	[496.28; 801.05]	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			-1.53310e+01
Coefficient B			3.81200e+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.			496.28
Temperature range, max.			801.05
η	0.0004761	Pa×s	496.28	Calculated Property
η	0.0002915	Pa×s	530.14	Calculated Property
η	0.0001893	Pa×s	564.01	Calculated Property
η	0.0001291	Pa×s	597.87	Calculated Property
η	0.0000917	Pa×s	631.73	Calculated Property
η	0.0000675	Pa×s	665.60	Calculated Property
η	0.0000511	Pa×s	699.46	Calculated Property
η	0.0000398	Pa×s	733.32	Calculated Property
η	0.0000316	Pa×s	767.19	Calculated Property
η	0.0000256	Pa×s	801.05	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl 3-phenylpropyl ester.

Sources

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

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