Chemical Properties of Cyclohexanone, 2,2,6-trimethyl- (CAS 2408-37-9)

InChI

InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3

InChI Key

ZPVOLGVTNLDBFI-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC1CCCC(C)(C)C1=O

Molecular Weight¹

140.22

CAS

2408-37-9

Other Names

• 1,1,3-Trimethyl-2-cyclohexanone
• 2,2,6-Trimethylcyclohexan-1-one
• 2,2,6-Trimethylcyclohexanone
• 2,6,6-Trimethylcyclohexanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_vap : Vapor 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-86.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-317.57	kJ/mol	Joback Calculated Property
ΔfusH°	5.18	kJ/mol	Joback Calculated Property
ΔvapH°	38.84	kJ/mol	Joback Calculated Property
log10WS	-2.28		Crippen Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Pc	2986.06	kPa	Joback Calculated Property
Inp	[1007.00; 1047.00]
Inp	1008.00		NIST
Inp	1008.00		NIST
Inp	1019.00		NIST
Inp	1022.00		NIST
Inp	1035.00		NIST
Inp	1022.90		NIST
Inp	1013.00		NIST
Inp	1036.00		NIST
Inp	1027.00		NIST
Inp	1047.00		NIST
Inp	1011.00		NIST
Inp	1017.00		NIST
Inp	1035.90		NIST
Inp	1011.00		NIST
Inp	1019.00		NIST
Inp	1029.00		NIST
Inp	1036.00		NIST
Inp	1012.00		NIST
Inp	1007.00		NIST
Inp	1012.00		NIST
Inp	1026.00		NIST
Inp	1041.00		NIST
Inp	1035.00		NIST
Inp	1040.00		NIST
Inp	1035.00		NIST
Inp	1043.00		NIST
Inp	1035.00		NIST
Inp	1047.00		NIST
Inp	1016.00		NIST
I	[1282.00; 1336.00]
I	1320.00		NIST
I	1303.00		NIST
I	1307.00		NIST
I	1284.00		NIST
I	1312.00		NIST
I	Outlier 1282.00		NIST
I	1335.00		NIST
I	1323.00		NIST
I	1323.00		NIST
I	1310.00		NIST
I	1308.00		NIST
I	1308.00		NIST
I	1317.00		NIST
I	1320.00		NIST
I	1320.00		NIST
I	1328.00		NIST
I	1327.00		NIST
I	1336.00		NIST
I	1333.00		NIST
I	1307.00		NIST
I	1300.00		NIST
I	1328.00		NIST
I	Outlier 1282.00		NIST
Tboil	451.70	K	NIST
Tc	714.57	K	Joback Calculated Property
Tfus	286.45	K	Joback Calculated Property
Vc	0.476	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.44; 389.26]	J/mol×K	[488.26; 714.57]
Cp,gas	292.44	J/mol×K	488.26	Joback Calculated Property
Cp,gas	310.90	J/mol×K	525.98	Joback Calculated Property
Cp,gas	328.31	J/mol×K	563.70	Joback Calculated Property
Cp,gas	344.77	J/mol×K	601.42	Joback Calculated Property
Cp,gas	360.36	J/mol×K	639.14	Joback Calculated Property
Cp,gas	375.16	J/mol×K	676.85	Joback Calculated Property
Cp,gas	389.26	J/mol×K	714.57	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[333.92; 480.92]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44436e+01
Coefficient B			-3.78265e+03
Coefficient C			-6.67090e+01
Temperature range, min.			333.92
Temperature range, max.			480.92
Pvap	1.33	kPa	333.92	Calculated Property
Pvap	3.01	kPa	350.25	Calculated Property
Pvap	6.23	kPa	366.59	Calculated Property
Pvap	11.96	kPa	382.92	Calculated Property
Pvap	21.52	kPa	399.25	Calculated Property
Pvap	36.65	kPa	415.59	Calculated Property
Pvap	59.51	kPa	431.92	Calculated Property
Pvap	92.72	kPa	448.25	Calculated Property
Pvap	139.29	kPa	464.59	Calculated Property
Pvap	202.64	kPa	480.92	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2,2,6-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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