Chemical Properties of n-Octylmalonic acid (CAS 760-55-4)

InChI

InChI=1S/C11H20O4/c1-2-3-4-5-6-7-8-9(10(12)13)11(14)15/h9H,2-8H2,1H3,(H,12,13)(H,14,15)

InChI Key

QJGNSTCICFBACB-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

CCCCCCCCC(C(=O)O)C(=O)O

Molecular Weight¹

216.27

CAS

760-55-4

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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	[265.76; 608.93]	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			4.07000e-01
Coefficient B			1.15632e+00
Coefficient C			-7.23000e-04
Coefficient D			1.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.76	J/mol×K	273.00	Calculated Property
Cp,gas	326.76	J/mol×K	353.78	Calculated Property
Cp,gas	380.74	J/mol×K	434.56	Calculated Property
Cp,gas	428.27	J/mol×K	515.33	Calculated Property
Cp,gas	469.90	J/mol×K	596.11	Calculated Property
Cp,gas	506.18	J/mol×K	676.89	Calculated Property
Cp,gas	537.67	J/mol×K	757.67	Calculated Property
Cp,gas	564.92	J/mol×K	838.44	Calculated Property
Cp,gas	588.49	J/mol×K	919.22	Calculated Property
Cp,gas	608.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006846; 0.0002123]	Pa×s	[519.93; 656.74]	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			-1.29064e+01
Coefficient B			2.92190e+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.			519.93
Temperature range, max.			656.74
η	0.0006846	Pa×s	519.93	Calculated Property
η	0.0005836	Pa×s	535.13	Calculated Property
η	0.0005019	Pa×s	550.33	Calculated Property
η	0.0004351	Pa×s	565.53	Calculated Property
η	0.0003801	Pa×s	580.74	Calculated Property
η	0.0003343	Pa×s	595.94	Calculated Property
η	0.0002959	Pa×s	611.14	Calculated Property
η	0.0002635	Pa×s	626.34	Calculated Property
η	0.0002359	Pa×s	641.54	Calculated Property
η	0.0002123	Pa×s	656.74	Calculated Property

Similar Compounds

Find more compounds similar to n-Octylmalonic acid.

Sources

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

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