Chemical Properties of (R)-(+)-3-Methyladipic acid (CAS 623-82-5)

InChI

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

InChI Key

SYEOWUNSTUDKGM-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

CC(CCC(=O)O)CC(=O)O

Molecular Weight¹

160.17

CAS

623-82-5

Other Names

• (+)-3-Methyladipic acid
• Hexanedioic acid, 3-methyl-, (R)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.26; 378.10]	J/mol×K	[650.34; 855.05]
Cp,gas	330.26	J/mol×K	650.34	Joback Calculated Property
Cp,gas	339.55	J/mol×K	684.46	Joback Calculated Property
Cp,gas	348.27	J/mol×K	718.58	Joback Calculated Property
Cp,gas	356.45	J/mol×K	752.69	Joback Calculated Property
Cp,gas	364.13	J/mol×K	786.81	Joback Calculated Property
Cp,gas	371.34	J/mol×K	820.93	Joback Calculated Property
Cp,gas	378.10	J/mol×K	855.05	Joback Calculated Property
η	[0.0002041; 0.0008669]	Pa×s	[474.85; 650.34]
η	0.0008669	Pa×s	474.85	Joback Calculated Property
η	0.0006352	Pa×s	504.10	Joback Calculated Property
η	0.0004815	Pa×s	533.35	Joback Calculated Property
η	0.0003757	Pa×s	562.59	Joback Calculated Property
η	0.0003005	Pa×s	591.84	Joback Calculated Property
η	0.0002454	Pa×s	621.09	Joback Calculated Property
η	0.0002041	Pa×s	650.34	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[479.80; 629.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.77303e+01
Coefficient B			-6.45093e+03
Coefficient C			-1.09965e+02
Temperature range, min.			479.80
Temperature range, max.			629.41
Pvap	1.33	kPa	479.80	Calculated Property
Pvap	2.82	kPa	496.42	Calculated Property
Pvap	5.62	kPa	513.05	Calculated Property
Pvap	10.59	kPa	529.67	Calculated Property
Pvap	19.03	kPa	546.29	Calculated Property
Pvap	32.73	kPa	562.92	Calculated Property
Pvap	54.19	kPa	579.54	Calculated Property
Pvap	86.68	kPa	596.16	Calculated Property
Pvap	134.41	kPa	612.79	Calculated Property
Pvap	202.64	kPa	629.41	Calculated Property

Similar Compounds

Find more compounds similar to (R)-(+)-3-Methyladipic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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