Chemical Properties of Octanedioic acid, 2-ethyl- (CAS 3971-33-3)

InChI

InChI=1S/C10H18O4/c1-2-8(10(13)14)6-4-3-5-7-9(11)12/h8H,2-7H2,1H3,(H,11,12)(H,13,14)

InChI Key

WUDDSDIHJHPJRP-UHFFFAOYSA-N

Formula

C10H18O4

SMILES

CCC(CCCCCC(=O)O)C(=O)O

Molecular Weight¹

202.25

CAS

3971-33-3

Other Names

• 2-Ethylsuberic acid
• 2-ethyloctanedioic acid

• 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

Cheméo can also estimate Acentric Factor for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[244.55; 557.34]	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			1.31600e+00
Coefficient B			1.06132e+00
Coefficient C			-6.68600e-04
Coefficient D			1.63300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.55	J/mol×K	273.00	Calculated Property
Cp,gas	300.34	J/mol×K	353.78	Calculated Property
Cp,gas	349.66	J/mol×K	434.56	Calculated Property
Cp,gas	393.04	J/mol×K	515.33	Calculated Property
Cp,gas	430.99	J/mol×K	596.11	Calculated Property
Cp,gas	464.02	J/mol×K	676.89	Calculated Property
Cp,gas	492.65	J/mol×K	757.67	Calculated Property
Cp,gas	517.41	J/mol×K	838.44	Calculated Property
Cp,gas	538.80	J/mol×K	919.22	Calculated Property
Cp,gas	557.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007352; 0.0002322]	Pa×s	[508.66; 641.73]	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			-1.27745e+01
Coefficient B			2.82774e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			508.66
Temperature range, max.			641.73
η	0.0007352	Pa×s	508.66	Calculated Property
η	0.0006284	Pa×s	523.45	Calculated Property
η	0.0005417	Pa×s	538.23	Calculated Property
η	0.0004707	Pa×s	553.02	Calculated Property
η	0.0004121	Pa×s	567.80	Calculated Property
η	0.0003631	Pa×s	582.59	Calculated Property
η	0.0003220	Pa×s	597.37	Calculated Property
η	0.0002872	Pa×s	612.16	Calculated Property
η	0.0002576	Pa×s	626.95	Calculated Property
η	0.0002322	Pa×s	641.73	Calculated Property

Similar Compounds

Find more compounds similar to Octanedioic acid, 2-ethyl-.

Sources

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

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