Chemical Properties of 1-CYCLOHEXYL-1-BUTANONE

InChI

InChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChI Key

UYMHLXHLPQIDMA-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CCCC(=O)C1CCCCC1

Molecular Weight¹

154.25

Other Names

• 1-Cyclohexanol-1-butanone
• 1-Cyclohexyl-1-butanone
• 1-cyclohexylbutan-1-one

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-311.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.09	kJ/mol	Joback Calculated Property
ΔvapH°	52.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.62		Relay (1.0) Calculated Property
logPoct/wat	2.936		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
I	[1984.00; 1984.00]
I	1984.00		NIST
I	1984.00		NIST
Tboil	486.87	K	Relay (1.0) Calculated Property
Tfus	271.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[328.32; 424.28]	J/mol×K	[501.62; 708.86]
Cp,gas	328.32	J/mol×K	501.62	Joback Calculated Property
Cp,gas	346.66	J/mol×K	536.16	Joback Calculated Property
Cp,gas	364.02	J/mol×K	570.70	Joback Calculated Property
Cp,gas	380.44	J/mol×K	605.24	Joback Calculated Property
Cp,gas	395.94	J/mol×K	639.78	Joback Calculated Property
Cp,gas	410.54	J/mol×K	674.32	Joback Calculated Property
Cp,gas	424.28	J/mol×K	708.86	Joback Calculated Property
η	[0.0002931; 0.0059552]	Pa×s	[259.77; 501.62]
η	0.0059552	Pa×s	259.77	Joback Calculated Property
η	0.0025735	Pa×s	300.08	Joback Calculated Property
η	0.0013566	Pa×s	340.39	Joback Calculated Property
η	0.0008190	Pa×s	380.69	Joback Calculated Property
η	0.0005446	Pa×s	421.00	Joback Calculated Property
η	0.0003889	Pa×s	461.31	Joback Calculated Property
η	0.0002931	Pa×s	501.62	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1-CYCLOHEXYL-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.