Chemical Properties of Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«beta»,4«beta»)- (CAS 7667-60-9)

InChI

InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m0/s1

InChI Key

VCJPCEVERINRSG-CIUDSAMLSA-N

Formula

C9H18

SMILES

CC1CCC(C)C(C)C1

Molecular Weight¹

126.24

CAS

7667-60-9

Other Names

• 1,2,4-Trimethylcyclohexane, trans,cis-
• 1,trans-2,cis-4-trimethylcyclohexane
• 1-trans-2-trans-4-Trimethylcyclohexane
• Cyclohexane, 1,2,4-trimethyl-, trans,cis-
• trans, cis-1,2,4-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	[845.00; 880.50]
Inp	875.00		NIST
Inp	880.50		NIST
Inp	857.00		NIST
Inp	845.00		NIST
Inp	878.00		NIST
Inp	857.50		NIST
Inp	852.80		NIST
Inp	872.80		NIST
Inp	850.20		NIST
Inp	848.00		NIST
Inp	845.00		NIST
Inp	852.80		NIST
Inp	875.00		NIST
Inp	857.50		NIST
Inp	845.00		NIST
Tboil	[413.00; 417.80]	K
Tboil	417.80 ± 0.40	K	NIST
Tboil	413.00 ± 3.00	K	NIST
Tc	613.57	K	Joback Calculated Property
Tfus	190.09	K	Joback Calculated Property
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; 202.65]	kPa	[296.12; 454.45]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40464e+01
Coefficient B			-3.78756e+03
Coefficient C			-2.08400e+01
Temperature range, min.			296.12
Temperature range, max.			454.45
Pvap	1.33	kPa	296.12	Calculated Property
Pvap	3.05	kPa	313.71	Calculated Property
Pvap	6.34	kPa	331.30	Calculated Property
Pvap	12.19	kPa	348.90	Calculated Property
Pvap	21.95	kPa	366.49	Calculated Property
Pvap	37.31	kPa	384.08	Calculated Property
Pvap	60.40	kPa	401.67	Calculated Property
Pvap	93.70	kPa	419.27	Calculated Property
Pvap	140.06	kPa	436.86	Calculated Property
Pvap	202.65	kPa	454.45	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«beta»,4«beta»)-.

Sources

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

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