Chemical Properties of Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«alpha»)- (CAS 1678-80-4)

InChI

InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1

InChI Key

VCJPCEVERINRSG-HRDYMLBCSA-N

Formula

C9H18

SMILES

CC1CCC(C)C(C)C1

Molecular Weight¹

126.24

CAS

1678-80-4

Other Names

• Cyclohexane, 1,2,4-trimethyl-, cis
• cis-1,2,4-Trimethylcyclohexane
• cis-1,2,cis-1,4-1,2,4-trimethylcyclohexane

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• 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
ω	0.2804		Relay (... Calculated Property
ΔfG°	33.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.62	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.04	kJ/mol	Joback Calculated Property
ΔvapH°	43.52	kJ/mol	Relay (... Calculated Property
IE	9.28	eV	Relay (... Calculated Property
log10WS	-5.02		Relay (... 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	[877.10; 895.00]
Inp	881.70		NIST
Inp	888.00		NIST
Inp	891.00		NIST
Inp	891.00		NIST
Inp	880.00		NIST
Inp	884.00		NIST
Inp	886.00		NIST
Inp	889.00		NIST
Inp	893.00		NIST
Inp	880.00		NIST
Inp	895.00		NIST
Inp	895.00		NIST
Inp	877.10		NIST
Inp	877.70		NIST
Inp	887.00		NIST
Inp	881.70		NIST
Inp	884.00		NIST
Inp	895.00		NIST
Inp	877.10		NIST
Tboil	[409.90; 420.90]	K
Tboil	420.90 ± 1.50	K	NIST
Tboil	416.15 ± 2.00	K	NIST
Tboil	409.90 ± 5.00	K	NIST
Tboil	419.00 ± 3.00	K	NIST
Tboil	418.45 ± 1.50	K	NIST
Tc	605.40	K	Relay (... Calculated Property
Tfus	178.26	K	Relay (... Calculated Property
Vc	0.455	m3/kmol	Relay (... 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

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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