Chemical Properties of Cyclohexane, 1-ethyl-2-methyl-, cis- (CAS 4923-77-7)

InChI

InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1

InChI Key

XARGIVYWQPXRTC-BDAKNGLRSA-N

Formula

C9H18

SMILES

CCC1CCCCC1C

Molecular Weight¹

126.24

CAS

4923-77-7

Other Names

• 1-Methyl-cis-2-ethylcyclohexane
• c-1-Ethyl-2-methylcyclohexane
• cis-1-Ethyl-2-methyl-cyclohexane
• cis-2-Methyl-1-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	0.2640		Relay (1.0) Calculated Property
ΔcH°liquid	-5877.85 ± 0.92	kJ/mol	NIST
ΔfG°	41.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.78	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-236.20 ± 1.10	kJ/mol	NIST
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
ΔvapH°	44.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-4.89		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	[905.00; 939.00]
Inp	923.00		NIST
Inp	928.00		NIST
Inp	930.00		NIST
Inp	933.00		NIST
Inp	937.00		NIST
Inp	Outlier 905.00		NIST
Inp	921.00		NIST
Inp	939.00		NIST
Inp	915.20		NIST
Inp	924.80		NIST
Inp	921.00		NIST
Inp	925.00		NIST
Inp	925.00		NIST
Tboil	[426.15; 429.13]	K
Tboil	429.13 ± 0.25	K	NIST
Tboil	429.12 ± 0.50	K	NIST
Tboil	428.15 ± 2.00	K	NIST
Tboil	426.15 ± 2.00	K	NIST
Tc	630.12	K	Relay (1.0) Calculated Property
Tfus	166.22	K	Relay (1.0) Calculated Property
Vc	0.449	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
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; 202.63]	kPa	[313.41; 458.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37991e+01
Coefficient B			-3.31456e+03
Coefficient C			-6.80990e+01
Temperature range, min.			313.41
Temperature range, max.			458.61
Pvap	1.33	kPa	313.41	Calculated Property
Pvap	3.07	kPa	329.54	Calculated Property
Pvap	6.41	kPa	345.68	Calculated Property
Pvap	12.35	kPa	361.81	Calculated Property
Pvap	22.23	kPa	377.94	Calculated Property
Pvap	37.75	kPa	394.08	Calculated Property
Pvap	60.98	kPa	410.21	Calculated Property
Pvap	94.34	kPa	426.34	Calculated Property
Pvap	140.56	kPa	442.48	Calculated Property
Pvap	202.63	kPa	458.61	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1-ethyl-2-methyl-, cis-.

Sources

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

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