Chemical Properties of Dimethylmalonic acid, pentyl 2-phenethyl ester

InChI

InChI=1S/C18H26O4/c1-4-5-9-13-21-16(19)18(2,3)17(20)22-14-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3

InChI Key

FBIOGUUGPBOCER-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCCOC(=O)C(C)(C)C(=O)OCCc1ccccc1

Molecular Weight¹

306.40

• 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	[361.29; 847.13]	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			-2.10340e+01
Coefficient B			1.65116e+00
Coefficient C			-9.69200e-04
Coefficient D			1.86200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.29	J/mol×K	273.00	Calculated Property
Cp,gas	450.05	J/mol×K	353.78	Calculated Property
Cp,gas	528.74	J/mol×K	434.56	Calculated Property
Cp,gas	597.96	J/mol×K	515.33	Calculated Property
Cp,gas	658.28	J/mol×K	596.11	Calculated Property
Cp,gas	710.30	J/mol×K	676.89	Calculated Property
Cp,gas	754.60	J/mol×K	757.67	Calculated Property
Cp,gas	791.78	J/mol×K	838.44	Calculated Property
Cp,gas	822.43	J/mol×K	919.22	Calculated Property
Cp,gas	847.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014744; 0.0000774]	Pa×s	[406.12; 667.10]	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			-1.40511e+01
Coefficient B			3.05872e+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.			406.12
Temperature range, max.			667.10
η	0.0014744	Pa×s	406.12	Calculated Property
η	0.0008925	Pa×s	435.12	Calculated Property
η	0.0005753	Pa×s	464.12	Calculated Property
η	0.0003904	Pa×s	493.11	Calculated Property
η	0.0002767	Pa×s	522.11	Calculated Property
η	0.0002033	Pa×s	551.11	Calculated Property
η	0.0001540	Pa×s	580.11	Calculated Property
η	0.0001198	Pa×s	609.11	Calculated Property
η	0.0000954	Pa×s	638.11	Calculated Property
η	0.0000774	Pa×s	667.10	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, pentyl 2-phenethyl ester.

Sources

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

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