Chemical Properties of 2,4,6-Trimethylmandelic acid (CAS 20797-56-2)

InChI

InChI=1S/C11H14O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)

InChI Key

IRQXVXUXARGLQG-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

Cc1cc(C)c(C(O)C(=O)O)c(C)c1

Molecular Weight¹

194.23

CAS

20797-56-2

• 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).
• 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

Property	Value	Unit	Source
ΔfG°	-279.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-490.57	kJ/mol	Joback Calculated Property
ΔfusH°	23.37	kJ/mol	Joback Calculated Property
ΔvapH°	84.06	kJ/mol	Joback Calculated Property
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	1.730		Crippen Calculated Property
McVol	155.400	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[1504.00; 1504.00]
Inp	1504.00		NIST
Inp	1504.00		NIST
Tboil	730.49	K	Joback Calculated Property
Tc	924.78	K	Joback Calculated Property
Tfus	434.28	K	Joback Calculated Property
Vc	0.582	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.11; 471.40]	J/mol×K	[730.49; 924.78]
Cp,gas	421.11	J/mol×K	730.49	Joback Calculated Property
Cp,gas	430.83	J/mol×K	762.87	Joback Calculated Property
Cp,gas	439.99	J/mol×K	795.25	Joback Calculated Property
Cp,gas	448.61	J/mol×K	827.63	Joback Calculated Property
Cp,gas	456.71	J/mol×K	860.01	Joback Calculated Property
Cp,gas	464.30	J/mol×K	892.39	Joback Calculated Property
Cp,gas	471.40	J/mol×K	924.78	Joback Calculated Property
η	[0.0000118; 0.0011981]	Pa×s	[434.28; 730.49]
η	0.0011981	Pa×s	434.28	Joback Calculated Property
η	0.0003744	Pa×s	483.65	Joback Calculated Property
η	0.0001451	Pa×s	533.02	Joback Calculated Property
η	0.0000661	Pa×s	582.38	Joback Calculated Property
η	0.0000340	Pa×s	631.75	Joback Calculated Property
η	0.0000193	Pa×s	681.12	Joback Calculated Property
η	0.0000118	Pa×s	730.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trimethylmandelic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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