Chemical Properties of Hexanedioic acid, 2-methyl- (CAS 626-70-0)

InChI

InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)

InChI Key

JZUMVFMLJGSMRF-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

CC(CCCC(=O)O)C(=O)O

Molecular Weight¹

160.17

CAS

626-70-0

• 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

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.91; 402.56]	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			4.04300e+00
Coefficient B			7.76320e-01
Coefficient C			-5.05400e-04
Coefficient D			1.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.91	J/mol×K	273.00	Calculated Property
Cp,gas	221.08	J/mol×K	353.78	Calculated Property
Cp,gas	256.43	J/mol×K	434.56	Calculated Property
Cp,gas	287.35	J/mol×K	515.33	Calculated Property
Cp,gas	314.25	J/mol×K	596.11	Calculated Property
Cp,gas	337.54	J/mol×K	676.89	Calculated Property
Cp,gas	357.60	J/mol×K	757.67	Calculated Property
Cp,gas	374.86	J/mol×K	838.44	Calculated Property
Cp,gas	389.71	J/mol×K	919.22	Calculated Property
Cp,gas	402.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079420; 0.0002864]	Pa×s	[336.00; 598.53]	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			-1.24108e+01
Coefficient B			2.54526e+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.			336.00
Temperature range, max.			598.53
η	0.0079420	Pa×s	336.00	Calculated Property
η	0.0043364	Pa×s	365.17	Calculated Property
η	0.0025895	Pa×s	394.34	Calculated Property
η	0.0016601	Pa×s	423.51	Calculated Property
η	0.0011271	Pa×s	452.68	Calculated Property
η	0.0008019	Pa×s	481.85	Calculated Property
η	0.0005932	Pa×s	511.02	Calculated Property
η	0.0004533	Pa×s	540.19	Calculated Property
η	0.0003561	Pa×s	569.36	Calculated Property
η	0.0002864	Pa×s	598.53	Calculated Property

Similar Compounds

Find more compounds similar to Hexanedioic acid, 2-methyl-.

Sources

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

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