Chemical Properties of 2,3,5,6-Tetramethylbenzoic acid (CAS 2604-45-7)

InChI

InChI=1S/C11H14O2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5H,1-4H3,(H,12,13)

InChI Key

STIDRZRESMTQBD-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

Cc1cc(C)c(C)c(C(=O)O)c1C

Molecular Weight¹

178.23

CAS

2604-45-7

Other Names

• Benzoic acid, 2,3,5,6-tetramethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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
ΔcH°solid	-5823.50 ± 1.00	kJ/mol	NIST
ΔfG°	-150.11	kJ/mol	Joback Calculated Property
ΔfH°gas	[-400.10; -400.00]	kJ/mol
ΔfH°gas	-400.10 ± 2.20	kJ/mol	NIST
ΔfH°gas	-400.00	kJ/mol	NIST
ΔfH°solid	[-506.20; -506.10]	kJ/mol
ΔfH°solid	-506.20 ± 2.00	kJ/mol	NIST
ΔfH°solid	-506.10 ± 1.00	kJ/mol	NIST
ΔfusH°	22.42	kJ/mol	Joback Calculated Property
ΔsubH°	[106.10; 106.10]	kJ/mol
ΔsubH°	106.10 ± 0.80	kJ/mol	NIST
ΔsubH°	106.10	kJ/mol	NIST
ΔsubH°	106.10 ± 0.80	kJ/mol	NIST
ΔvapH°	68.43	kJ/mol	Joback Calculated Property
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	2.618		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	2928.17	kPa	Joback Calculated Property
Tboil	643.73	K	Joback Calculated Property
Tc	844.89	K	Joback Calculated Property
Tfus	400.98	K	Joback Calculated Property
Vc	0.569	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.49; 430.93]	J/mol×K	[643.73; 844.89]
Cp,gas	371.49	J/mol×K	643.73	Joback Calculated Property
Cp,gas	382.80	J/mol×K	677.26	Joback Calculated Property
Cp,gas	393.53	J/mol×K	710.78	Joback Calculated Property
Cp,gas	403.70	J/mol×K	744.31	Joback Calculated Property
Cp,gas	413.31	J/mol×K	777.84	Joback Calculated Property
Cp,gas	422.39	J/mol×K	811.36	Joback Calculated Property
Cp,gas	430.93	J/mol×K	844.89	Joback Calculated Property
Cp,solid	231.70	J/mol×K	298.15	NIST
η	[0.0000701; 0.0013439]	Pa×s	[400.98; 643.73]
η	0.0013439	Pa×s	400.98	Joback Calculated Property
η	0.0006556	Pa×s	441.44	Joback Calculated Property
η	0.0003608	Pa×s	481.90	Joback Calculated Property
η	0.0002178	Pa×s	522.36	Joback Calculated Property
η	0.0001414	Pa×s	562.81	Joback Calculated Property
η	0.0000972	Pa×s	603.27	Joback Calculated Property
η	0.0000701	Pa×s	643.73	Joback Calculated Property
ΔsubH	104.60 ± 0.80	kJ/mol	340.50	NIST

Similar Compounds

Find more compounds similar to 2,3,5,6-Tetramethylbenzoic acid.

Sources

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

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