Chemical Properties of Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«beta»)- (CAS 7667-55-2)

InChI

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

InChI Key

DQTVJLHNWPRPPH-YUMQZZPRSA-N

Formula

C9H18

SMILES

CC1CCCC(C)C1C

Molecular Weight¹

126.24

CAS

7667-55-2

Other Names

• 1,cis-2,trans-3-Trimethylcyclohexane
• Cyclohexane, 1,2,3-trimethyl-, cis,trans-
• Cyclohexane, 1,2,3-trimethyl-, cis-1,2,trans-1,3-
• cis,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	[878.35; 935.00]
Inp	878.70		NIST
Inp	885.10		NIST
Inp	930.00		NIST
Inp	935.00		NIST
Inp	878.35		NIST
Inp	897.70		NIST
Inp	878.35		NIST
Inp	897.70		NIST
Inp	930.00		NIST
Tboil	[424.28; 424.40]	K
Tboil	424.40	K	NIST
Tboil	424.28 ± 0.20	K	NIST
Tboil	424.40 ± 0.40	K	NIST
Tc	613.57	K	Joback Calculated Property
Tfus	187.42 ± 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; 202.65]	kPa	[300.31; 455.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43748e+01
Coefficient B			-3.93828e+03
Coefficient C			-2.07410e+01
Temperature range, min.			300.31
Temperature range, max.			455.27
Pvap	1.33	kPa	300.31	Calculated Property
Pvap	3.02	kPa	317.53	Calculated Property
Pvap	6.25	kPa	334.75	Calculated Property
Pvap	12.00	kPa	351.96	Calculated Property
Pvap	21.59	kPa	369.18	Calculated Property
Pvap	36.76	kPa	386.40	Calculated Property
Pvap	59.67	kPa	403.62	Calculated Property
Pvap	92.89	kPa	420.83	Calculated Property
Pvap	139.43	kPa	438.05	Calculated Property
Pvap	202.65	kPa	455.27	Calculated Property

Similar Compounds

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

Sources

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

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