Chemical Properties of Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)- (CAS 1678-81-5)

InChI

InChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+

InChI Key

DQTVJLHNWPRPPH-BRPSZJMVSA-N

Formula

C9H18

SMILES

CC1CCCC(C)C1C

Molecular Weight¹

126.24

CAS

1678-81-5

Other Names

• 1,2,3-Trimethylcyclohexane, (1«alpha»,2«beta»,3«alpha»)-
• 1,2,3-Trimethylcyclohexane, (1«alpha»,2«beta»,3«alpha»)-
• 1,2,3-Trimethylcyclohexane, trans,trans
• 1,trans-2,cis-3-Trimethylcyclohexane
• Cyclohexane, 1,2,3-trimethyl-, stereoisomer
• Cyclohexane, 1,2,3-trimethyl-, trans
• c,t,c-1,2,3-Trimethylcyclohexane
• cis,trans,cis-1,2,3-Trimethylcyclohexane
• trans-1,2,3-Trimethylcyclohexane

• 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).
• 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°	33.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.45	kJ/mol	Joback Calculated Property
ΔfusH°	13.04	kJ/mol	Joback Calculated Property
ΔvapH°	35.44	kJ/mol	Joback Calculated Property
log10WS	-2.76		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2648.83	kPa	Joback Calculated Property
Inp	[853.00; 900.00]
Inp	853.00		NIST
Inp	853.60		NIST
Inp	888.00		NIST
Inp	877.00		NIST
Inp	881.00		NIST
Inp	883.00		NIST
Inp	890.00		NIST
Inp	890.00		NIST
Inp	877.00		NIST
Inp	854.00		NIST
Inp	867.00		NIST
Inp	Outlier 900.00		NIST
Inp	874.10		NIST
Inp	863.57		NIST
Inp	867.65		NIST
Inp	870.20		NIST
Inp	867.92		NIST
Inp	872.06		NIST
Inp	874.78		NIST
Inp	867.00		NIST
Tboil	418.76 ± 0.30	K	NIST
Tc	613.57	K	Joback Calculated Property
Tfus	206.29 ± 0.20	K	NIST
Vc	0.470	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.82; 357.55]	J/mol×K	[415.53; 613.57]
Cp,gas	254.82	J/mol×K	415.53	Joback Calculated Property
Cp,gas	273.92	J/mol×K	448.54	Joback Calculated Property
Cp,gas	292.21	J/mol×K	481.54	Joback Calculated Property
Cp,gas	309.72	J/mol×K	514.55	Joback Calculated Property
Cp,gas	326.43	J/mol×K	547.56	Joback Calculated Property
Cp,gas	342.37	J/mol×K	580.57	Joback Calculated Property
Cp,gas	357.55	J/mol×K	613.57	Joback Calculated Property
η	[0.0002565; 0.0024227]	Pa×s	[190.09; 415.53]
η	0.0024227	Pa×s	190.09	Joback Calculated Property
η	0.0012236	Pa×s	227.66	Joback Calculated Property
η	0.0007500	Pa×s	265.24	Joback Calculated Property
η	0.0005190	Pa×s	302.81	Joback Calculated Property
η	0.0003896	Pa×s	340.38	Joback Calculated Property
η	0.0003096	Pa×s	377.96	Joback Calculated Property
η	0.0002565	Pa×s	415.53	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[296.67; 449.42]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41372e+01
Coefficient B			-3.71653e+03
Coefficient C			-2.83230e+01
Temperature range, min.			296.67
Temperature range, max.			449.42
Pvap	1.33	kPa	296.67	Calculated Property
Pvap	3.04	kPa	313.64	Calculated Property
Pvap	6.31	kPa	330.61	Calculated Property
Pvap	12.14	kPa	347.59	Calculated Property
Pvap	21.84	kPa	364.56	Calculated Property
Pvap	37.15	kPa	381.53	Calculated Property
Pvap	60.19	kPa	398.50	Calculated Property
Pvap	93.46	kPa	415.48	Calculated Property
Pvap	139.87	kPa	432.45	Calculated Property
Pvap	202.63	kPa	449.42	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.