Chemical Properties of Cyclohexane, 1-ethyl-1-methyl- (CAS 4926-90-3)

InChI

InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3

InChI Key

YPJRYQGOKHKNKZ-UHFFFAOYSA-N

Formula

C9H18

SMILES

CCC1(C)CCCCC1

Molecular Weight¹

126.24

CAS

4926-90-3

Other Names

• 1-EHTYL-1-METHYLCYCLOHEXANE
• 1-Ethyl-1-methylcyclohexane
• 1-Methyl-1-ethylcyclohexane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔcH°liquid	-5873.88 ± 0.92	kJ/mol	NIST
ΔfG°	43.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.53	kJ/mol	Joback Calculated Property
ΔfH°liquid	-240.20 ± 1.00	kJ/mol	NIST
ΔfusH°	4.60	kJ/mol	Joback Calculated Property
ΔvapH°	34.91	kJ/mol	Joback Calculated Property
IE	9.34	eV	NIST
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Inp	[897.00; 935.00]
Inp	905.00		NIST
Inp	908.00		NIST
Inp	909.00		NIST
Inp	912.00		NIST
Inp	915.00		NIST
Inp	903.00		NIST
Inp	Outlier 935.00		NIST
Inp	901.50		NIST
Inp	907.10		NIST
Inp	903.00		NIST
Inp	897.00		NIST
Inp	905.00		NIST
Inp	901.00		NIST
Inp	902.00		NIST
Inp	901.00		NIST
Tboil	425.11	K	Joback Calculated Property
Tc	633.08	K	Joback Calculated Property
Tfus	222.47	K	Joback Calculated Property
Vc	0.470	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.14; 354.69]	J/mol×K	[425.11; 633.08]
Cp,gas	256.14	J/mol×K	425.11	Joback Calculated Property
Cp,gas	275.37	J/mol×K	459.77	Joback Calculated Property
Cp,gas	293.34	J/mol×K	494.43	Joback Calculated Property
Cp,gas	310.16	J/mol×K	529.10	Joback Calculated Property
Cp,gas	325.92	J/mol×K	563.76	Joback Calculated Property
Cp,gas	340.73	J/mol×K	598.42	Joback Calculated Property
Cp,gas	354.69	J/mol×K	633.08	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[306.42; 454.93]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42194e+01
Coefficient B			-3.66859e+03
Coefficient C			-4.30990e+01
Temperature range, min.			306.42
Temperature range, max.			454.93
Pvap	1.33	kPa	306.42	Calculated Property
Pvap	3.03	kPa	322.92	Calculated Property
Pvap	6.29	kPa	339.42	Calculated Property
Pvap	12.09	kPa	355.92	Calculated Property
Pvap	21.75	kPa	372.42	Calculated Property
Pvap	37.01	kPa	388.93	Calculated Property
Pvap	60.00	kPa	405.43	Calculated Property
Pvap	93.26	kPa	421.93	Calculated Property
Pvap	139.72	kPa	438.43	Calculated Property
Pvap	202.64	kPa	454.93	Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.