Chemical Properties of Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«beta»)- (CAS 7667-58-5)

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-XHNCKOQMSA-N

Formula

C9H18

SMILES

CC1CCC(C)C(C)C1

Molecular Weight¹

126.24

CAS

7667-58-5

Other Names

• 1,cis-2,trans-4-trimethylcyclohexane
• cis,trans-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	[854.00; 894.00]
Inp	883.30		NIST
Inp	889.30		NIST
Inp	893.10		NIST
Inp	857.00		NIST
Inp	880.00		NIST
Inp	861.00		NIST
Inp	884.00		NIST
Inp	863.00		NIST
Inp	886.00		NIST
Inp	866.00		NIST
Inp	890.00		NIST
Inp	870.00		NIST
Inp	894.00		NIST
Inp	880.00		NIST
Inp	875.60		NIST
Inp	879.40		NIST
Inp	854.00		NIST
Inp	875.60		NIST
Inp	883.30		NIST
Inp	861.00		NIST
Inp	890.00		NIST
Inp	854.00		NIST
Tboil	415.00 ± 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; 202.66]	kPa	[298.22; 443.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49059e+01
Coefficient B			-4.05540e+03
Coefficient C			-2.07950e+01
Temperature range, min.			298.22
Temperature range, max.			443.48
Pvap	1.33	kPa	298.22	Calculated Property
Pvap	2.98	kPa	314.36	Calculated Property
Pvap	6.12	kPa	330.50	Calculated Property
Pvap	11.71	kPa	346.64	Calculated Property
Pvap	21.06	kPa	362.78	Calculated Property
Pvap	35.94	kPa	378.92	Calculated Property
Pvap	58.57	kPa	395.06	Calculated Property
Pvap	91.67	kPa	411.20	Calculated Property
Pvap	138.46	kPa	427.34	Calculated Property
Pvap	202.66	kPa	443.48	Calculated Property

Similar Compounds

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

Sources

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

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