Chemical Properties of Benzenemethanol, «alpha»,«alpha»-dimethyl-, acetate (CAS 3425-72-7)

InChI

InChI=1S/C11H14O2/c1-9(12)13-11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3

InChI Key

XPMMKIYJJWQFOR-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC(=O)OC(C)(C)c1ccccc1

Molecular Weight¹

178.23

CAS

3425-72-7

Other Names

• Acetic acid, 2-phenyl-2-propyl ester
• 1-methyl-1-phenylethyl acetate
• 2-Propanol, 2-phenyl, acetate

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4372		Relay (1.0) Calculated Property
ΔfH°gas	-357.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.24	kJ/mol	Joback Calculated Property
ΔvapH°	65.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-2.35		Relay (1.0) Calculated Property
logPoct/wat	2.485		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	2715.50	kPa	Joback Calculated Property
Inp	[1302.00; 1302.00]
Inp	1302.00		NIST
Inp	1302.00		NIST
I	[1755.00; 1755.00]
I	1755.00		NIST
I	1755.00		NIST
Tboil	481.22	K	Relay (1.0) Calculated Property
Tc	709.12	K	Relay (1.0) Calculated Property
Tfus	253.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[344.92; 424.79]	J/mol×K	[532.95; 752.92]
Cp,gas	344.92	J/mol×K	532.95	Joback Calculated Property
Cp,gas	360.83	J/mol×K	569.61	Joback Calculated Property
Cp,gas	375.63	J/mol×K	606.27	Joback Calculated Property
Cp,gas	389.38	J/mol×K	642.94	Joback Calculated Property
Cp,gas	402.13	J/mol×K	679.60	Joback Calculated Property
Cp,gas	413.91	J/mol×K	716.26	Joback Calculated Property
Cp,gas	424.79	J/mol×K	752.92	Joback Calculated Property
η	[0.0001731; 0.0046160]	Pa×s	[284.90; 532.95]
η	0.0046160	Pa×s	284.90	Joback Calculated Property
η	0.0018881	Pa×s	326.24	Joback Calculated Property
η	0.0009443	Pa×s	367.58	Joback Calculated Property
η	0.0005433	Pa×s	408.92	Joback Calculated Property
η	0.0003460	Pa×s	450.27	Joback Calculated Property
η	0.0002377	Pa×s	491.61	Joback Calculated Property
η	0.0001731	Pa×s	532.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»,«alpha»-dimethyl-, acetate.

Sources

• Cheméo Relay (1.0)
• 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.
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