Chemical Properties of tert-Butyl phenyl carbonate (CAS 6627-89-0)

InChI

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

InChI Key

UXWVQHXKKOGTSY-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CC(C)(C)OC(=O)Oc1ccccc1

Molecular Weight¹

194.23

CAS

6627-89-0

Other Names

• t-Butyl phenyl carbonate
• Carbonic acid, 1,1-dimethylethyl phenyl ester
• Carbonic acid 1,1-dimethylethyl ester

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.86; 496.38]	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			-1.45800e+01
Coefficient B			9.77760e-01
Coefficient C			-5.72000e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.86	J/mol×K	273.00	Calculated Property
Cp,gas	264.40	J/mol×K	353.78	Calculated Property
Cp,gas	310.93	J/mol×K	434.56	Calculated Property
Cp,gas	351.78	J/mol×K	515.33	Calculated Property
Cp,gas	387.30	J/mol×K	596.11	Calculated Property
Cp,gas	417.80	J/mol×K	676.89	Calculated Property
Cp,gas	443.63	J/mol×K	757.67	Calculated Property
Cp,gas	465.11	J/mol×K	838.44	Calculated Property
Cp,gas	482.59	J/mol×K	919.22	Calculated Property
Cp,gas	496.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030538; 0.0001520]	Pa×s	[307.13; 540.96]	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			-1.27330e+01
Coefficient B			2.13197e+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.			307.13
Temperature range, max.			540.96
η	0.0030538	Pa×s	307.13	Calculated Property
η	0.0017771	Pa×s	333.11	Calculated Property
η	0.0011184	Pa×s	359.09	Calculated Property
η	0.0007493	Pa×s	385.07	Calculated Property
η	0.0005280	Pa×s	411.05	Calculated Property
η	0.0003879	Pa×s	437.03	Calculated Property
η	0.0002950	Pa×s	463.02	Calculated Property
η	0.0002310	Pa×s	489.00	Calculated Property
η	0.0001854	Pa×s	514.98	Calculated Property
η	0.0001520	Pa×s	540.96	Calculated Property

Similar Compounds

Find more compounds similar to tert-Butyl phenyl carbonate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.