Chemical Properties of Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, methylcarbamate (CAS 1918-11-2)

InChI

InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)

InChI Key

PNRAZZZISDRWMV-UHFFFAOYSA-N

Formula

C17H27NO2

SMILES

CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

Molecular Weight¹

277.40

CAS

1918-11-2

Other Names

• Carbamic acid, methyl-, 2,6-di-tert-butyl-p-tolyl ester
• Azak
• Terbutol
• Terbucarb
• MBPMC

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	36.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.92	kJ/mol	Joback Calculated Property
ΔfusH°	25.72	kJ/mol	Joback Calculated Property
ΔvapH°	70.70	kJ/mol	Joback Calculated Property
log10WS	-5.06		Crippen Calculated Property
logPoct/wat	4.308		Crippen Calculated Property
McVol	244.050	ml/mol	McGowan Calculated Property
Pc	1643.09	kPa	Joback Calculated Property
Inp	[1846.00; 1909.00]
Inp	1874.00		NIST
Inp	1851.00		NIST
Inp	1898.00		NIST
Inp	1909.00		NIST
Inp	1874.00		NIST
Inp	1846.00		NIST
Inp	1909.00		NIST
Inp	1874.00		NIST
Tboil	749.98	K	Joback Calculated Property
Tc	964.67	K	Joback Calculated Property
Tfus	474.99	K	Joback Calculated Property
Vc	0.916	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[716.88; 804.81]	J/mol×K	[749.98; 964.67]
Cp,gas	716.88	J/mol×K	749.98	Joback Calculated Property
Cp,gas	734.17	J/mol×K	785.76	Joback Calculated Property
Cp,gas	750.33	J/mol×K	821.54	Joback Calculated Property
Cp,gas	765.41	J/mol×K	857.33	Joback Calculated Property
Cp,gas	779.47	J/mol×K	893.11	Joback Calculated Property
Cp,gas	792.58	J/mol×K	928.89	Joback Calculated Property
Cp,gas	804.81	J/mol×K	964.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, methylcarbamate.

Sources

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

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