Chemical Properties of Cyclohexane, 1,1,2-trimethyl- (CAS 7094-26-0)

InChI

InChI=1S/C9H18/c1-8-6-4-5-7-9(8,2)3/h8H,4-7H2,1-3H3

InChI Key

MEBONNVPKOBPEA-UHFFFAOYSA-N

Formula

C9H18

SMILES

CC1CCCCC1(C)C

Molecular Weight¹

126.24

CAS

7094-26-0

Other Names

• 1,1,2-Trimethylcyclohexane

• 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.
• 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°	36.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.87	kJ/mol	Joback Calculated Property
ΔfusH°	5.67	kJ/mol	Joback Calculated Property
ΔvapH°	34.60	kJ/mol	Joback Calculated Property
log10WS	-3.00		Crippen Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Inp	[846.00; 906.00]
Inp	881.70		NIST
Inp	888.90		NIST
Inp	878.70		NIST
Inp	879.20		NIST
Inp	900.00		NIST
Inp	883.00		NIST
Inp	887.00		NIST
Inp	889.00		NIST
Inp	892.00		NIST
Inp	896.00		NIST
Inp	883.00		NIST
Inp	906.00		NIST
Inp	882.80		NIST
Inp	879.40		NIST
Inp	877.00		NIST
Inp	875.66		NIST
Inp	874.00		NIST
Inp	882.00		NIST
Inp	882.00		NIST
Inp	882.00		NIST
Inp	Outlier 846.00		NIST
Inp	876.00		NIST
Inp	884.00		NIST
Inp	Outlier 846.00		NIST
Inp	882.00		NIST
Tboil	[418.25; 419.15]	K
Tboil	419.14 ± 0.30	K	NIST
Tboil	418.25 ± 1.00	K	NIST
Tboil	419.15 ± 0.50	K	NIST
Tboil	418.40 ± 1.00	K	NIST
Tc	627.99	K	Joback Calculated Property
Tfus	[244.00; 247.16]	K
Tfus	247.16 ± 4.00	K	NIST
Tfus	244.00 ± 0.60	K	NIST
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.95; 356.86]	J/mol×K	[420.44; 627.99]
Cp,gas	255.95	J/mol×K	420.44	Joback Calculated Property
Cp,gas	275.52	J/mol×K	455.03	Joback Calculated Property
Cp,gas	293.86	J/mol×K	489.62	Joback Calculated Property
Cp,gas	311.08	J/mol×K	524.21	Joback Calculated Property
Cp,gas	327.25	J/mol×K	558.80	Joback Calculated Property
Cp,gas	342.48	J/mol×K	593.40	Joback Calculated Property
Cp,gas	356.86	J/mol×K	627.99	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[301.40; 448.96]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39357e+01
Coefficient B			-3.45722e+03
Coefficient C			-4.80900e+01
Temperature range, min.			301.40
Temperature range, max.			448.96
Pvap	1.33	kPa	301.40	Calculated Property
Pvap	3.06	kPa	317.80	Calculated Property
Pvap	6.37	kPa	334.19	Calculated Property
Pvap	12.27	kPa	350.59	Calculated Property
Pvap	22.07	kPa	366.98	Calculated Property
Pvap	37.51	kPa	383.38	Calculated Property
Pvap	60.66	kPa	399.77	Calculated Property
Pvap	93.98	kPa	416.17	Calculated Property
Pvap	140.28	kPa	432.56	Calculated Property
Pvap	202.64	kPa	448.96	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,1,2-trimethyl-.

Sources

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

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