Chemical Properties of 1-(pentamethylphenyl)ethan-1-one (CAS 2040-01-9)

InChI

InChI=1S/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3

InChI Key

CTTYWXDVWGKHKJ-UHFFFAOYSA-N

Formula

C13H18O

SMILES

CC(=O)c1c(C)c(C)c(C)c(C)c1C

Molecular Weight¹

190.28

CAS

2040-01-9

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.55; 494.83]	J/mol×K	[602.29; 812.07]
Cp,gas	415.55	J/mol×K	602.29	Joback Calculated Property
Cp,gas	430.52	J/mol×K	637.25	Joback Calculated Property
Cp,gas	444.78	J/mol×K	672.22	Joback Calculated Property
Cp,gas	458.33	J/mol×K	707.18	Joback Calculated Property
Cp,gas	471.18	J/mol×K	742.14	Joback Calculated Property
Cp,gas	483.35	J/mol×K	777.10	Joback Calculated Property
Cp,gas	494.83	J/mol×K	812.07	Joback Calculated Property
η	[0.0001918; 0.0009177]	Pa×s	[375.22; 602.29]
η	0.0009177	Pa×s	375.22	Joback Calculated Property
η	0.0006273	Pa×s	413.06	Joback Calculated Property
η	0.0004571	Pa×s	450.91	Joback Calculated Property
η	0.0003498	Pa×s	488.75	Joback Calculated Property
η	0.0002782	Pa×s	526.60	Joback Calculated Property
η	0.0002281	Pa×s	564.44	Joback Calculated Property
η	0.0001918	Pa×s	602.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(pentamethylphenyl)ethan-1-one.

Sources

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

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