Chemical Properties of 1-(2,3,4,5-Tetramethylphenyl)-1-butanone (CAS 69855-49-8)

InChI

InChI=1S/C14H20O/c1-6-7-14(15)13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3

InChI Key

KYCSTHBXFQOETE-UHFFFAOYSA-N

Formula

C14H20O

SMILES

CCCC(=O)c1cc(C)c(C)c(C)c1C

Molecular Weight¹

204.31

CAS

69855-49-8

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-256.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.10	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
logPoct/wat	3.903		Crippen Calculated Property
McVol	185.930	ml/mol	McGowan Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[465.97; 549.43]	J/mol×K	[620.19; 825.80]
Cp,gas	465.97	J/mol×K	620.19	Joback Calculated Property
Cp,gas	481.82	J/mol×K	654.46	Joback Calculated Property
Cp,gas	496.87	J/mol×K	688.73	Joback Calculated Property
Cp,gas	511.14	J/mol×K	723.00	Joback Calculated Property
Cp,gas	524.64	J/mol×K	757.27	Joback Calculated Property
Cp,gas	537.40	J/mol×K	791.53	Joback Calculated Property
Cp,gas	549.43	J/mol×K	825.80	Joback Calculated Property
η	[0.0001803; 0.0010996]	Pa×s	[373.97; 620.19]
η	0.0010996	Pa×s	373.97	Joback Calculated Property
η	0.0007009	Pa×s	415.01	Joback Calculated Property
η	0.0004844	Pa×s	456.04	Joback Calculated Property
η	0.0003559	Pa×s	497.08	Joback Calculated Property
η	0.0002741	Pa×s	538.12	Joback Calculated Property
η	0.0002190	Pa×s	579.15	Joback Calculated Property
η	0.0001803	Pa×s	620.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(2,3,4,5-Tetramethylphenyl)-1-butanone.

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.