Chemical Properties of Cyclohexane, 1-ethyl-4-methyl-, cis- (CAS 4926-78-7)

InChI

InChI=1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3/t8-,9+

InChI Key

CYISMTMRBPPERU-DTORHVGOSA-N

Formula

C9H18

SMILES

CCC1CCC(C)CC1

Molecular Weight¹

126.24

CAS

4926-78-7

Other Names

• 1-Ethyl-4-methyl(cis)-cyclohexane
• 1-Ethyl-4-methylcyclohexane, (Z)-
• 1-Methyl-cis-4-ethylcyclohexane
• c-1-Ethyl-4-methylcyclohexane
• cis-1-Ethyl-4-Methylcyclohexane
• cis-1-Methyl-4-Ethylcyclohexane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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
ω	0.2734		Relay (1.0) Calculated Property
ΔcH°liquid	-5875.10 ± 1.00	kJ/mol	NIST
ΔfG°	41.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-185.24	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-239.00 ± 1.20	kJ/mol	NIST
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
ΔvapH°	44.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2741.15	kPa	Joback Calculated Property
Inp	[892.21; 930.00]
Inp	906.00		NIST
Inp	910.00		NIST
Inp	912.00		NIST
Inp	914.00		NIST
Inp	918.00		NIST
Inp	906.00		NIST
Inp	892.21		NIST
Inp	904.00		NIST
Inp	Outlier 930.00		NIST
Inp	896.80		NIST
Inp	907.10		NIST
Inp	904.00		NIST
Inp	908.00		NIST
Inp	904.00		NIST
Inp	906.00		NIST
Tboil	[423.00; 523.70]	K
Tboil	425.80	K	NIST
Tboil	423.85 ± 1.00	K	NIST
Tboil	523.70 ± 1.50	K	NIST
Tboil	423.00 ± 2.00	K	NIST
Tboil	423.15 ± 1.50	K	NIST
Tc	613.46	K	Relay (1.0) Calculated Property
Tfus	178.45	K	Relay (1.0) Calculated Property
Vc	0.459	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.55; 475.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.49590e+01
Coefficient B			9.54440e-01
Coefficient C			-4.91400e-04
Coefficient D			7.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.55	J/mol×K	273.00	Calculated Property
Cp,gas	214.62	J/mol×K	353.78	Calculated Property
Cp,gas	263.35	J/mol×K	434.56	Calculated Property
Cp,gas	306.97	J/mol×K	515.33	Calculated Property
Cp,gas	345.75	J/mol×K	596.11	Calculated Property
Cp,gas	379.92	J/mol×K	676.89	Calculated Property
Cp,gas	409.72	J/mol×K	757.67	Calculated Property
Cp,gas	435.40	J/mol×K	838.44	Calculated Property
Cp,gas	457.21	J/mol×K	919.22	Calculated Property
Cp,gas	475.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046654; 0.0002477]	Pa×s	[194.33; 433.30]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.06908e+01
Coefficient B			1.03446e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			194.33
Temperature range, max.			433.30
η	0.0046654	Pa×s	194.33	Calculated Property
η	0.0024603	Pa×s	220.88	Calculated Property
η	0.0014884	Pa×s	247.43	Calculated Property
η	0.0009926	Pa×s	273.99	Calculated Property
η	0.0007111	Pa×s	300.54	Calculated Property
η	0.0005377	Pa×s	327.09	Calculated Property
η	0.0004241	Pa×s	353.64	Calculated Property
η	0.0003457	Pa×s	380.19	Calculated Property
η	0.0002895	Pa×s	406.74	Calculated Property
η	0.0002477	Pa×s	433.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[312.18; 455.23]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.34371e+01
Coefficient B			-3.04234e+03
Coefficient C			-8.08140e+01
Temperature range, min.			312.18
Temperature range, max.			455.23
Pvap	1.33	kPa	312.18	Calculated Property
Pvap	3.10	kPa	328.07	Calculated Property
Pvap	6.53	kPa	343.97	Calculated Property
Pvap	12.61	kPa	359.86	Calculated Property
Pvap	22.69	kPa	375.76	Calculated Property
Pvap	38.46	kPa	391.65	Calculated Property
Pvap	61.91	kPa	407.55	Calculated Property
Pvap	95.36	kPa	423.44	Calculated Property
Pvap	141.36	kPa	439.34	Calculated Property
Pvap	202.66	kPa	455.23	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-ethyl-4-methyl-, cis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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