Chemical Properties of Dimethylmalonic acid, 3-phenylpropyl undecyl ester

InChI

InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-15-20-28-23(26)25(2,3)24(27)29-21-16-19-22-17-13-12-14-18-22/h12-14,17-18H,4-11,15-16,19-21H2,1-3H3

InChI Key

LIWDTDKVKYHISX-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1

Molecular Weight¹

404.59

• 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	[509.78; 1208.26]	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			-2.73970e+01
Coefficient B			2.31616e+00
Coefficient C			-1.35000e-03
Coefficient D			2.69500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	509.78	J/mol×K	273.00	Calculated Property
Cp,gas	634.98	J/mol×K	353.78	Calculated Property
Cp,gas	746.29	J/mol×K	434.56	Calculated Property
Cp,gas	844.56	J/mol×K	515.33	Calculated Property
Cp,gas	930.66	J/mol×K	596.11	Calculated Property
Cp,gas	1005.43	J/mol×K	676.89	Calculated Property
Cp,gas	1069.72	J/mol×K	757.67	Calculated Property
Cp,gas	1124.39	J/mol×K	838.44	Calculated Property
Cp,gas	1170.28	J/mol×K	919.22	Calculated Property
Cp,gas	1208.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005527; 0.0000300]	Pa×s	[485.01; 782.41]	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			-1.51661e+01
Coefficient B			3.71784e+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.			485.01
Temperature range, max.			782.41
η	0.0005527	Pa×s	485.01	Calculated Property
η	0.0003390	Pa×s	518.05	Calculated Property
η	0.0002204	Pa×s	551.10	Calculated Property
η	0.0001505	Pa×s	584.14	Calculated Property
η	0.0001070	Pa×s	617.19	Calculated Property
η	0.0000788	Pa×s	650.23	Calculated Property
η	0.0000598	Pa×s	683.27	Calculated Property
η	0.0000465	Pa×s	716.32	Calculated Property
η	0.0000370	Pa×s	749.36	Calculated Property
η	0.0000300	Pa×s	782.41	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.