Chemical Properties of cis-1-Ethyl-3-methyl-cyclohexane (CAS 19489-10-2)

InChI

InChI=1S/C9H18/c1-3-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1

InChI Key

UDDVMPHNQKRNNS-DTWKUNHWSA-N

Formula

C9H18

SMILES

CCC1CCCC(C)C1

Molecular Weight¹

126.24

CAS

19489-10-2

Other Names

• 1-Ethyl-3-methylcyclohexane, (Z)-
• 1-Ethyl-3-methylcyclohexane, cis
• 1-METHYL-CIS-3-ETHYLCYCLOHEXANE
• 1-Methyl,cis-3-ethylcyclohexane
• Cyclohexane, 1-ethyl-3-methyl-, cis-
• c-1-Ethyl-3-methylcyclohexane
• cis-1-Methyl-3-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.2733		Relay (1.0) Calculated Property
ΔcH°liquid	-5867.30 ± 1.10	kJ/mol	NIST
ΔfG°	41.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.33	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-246.70 ± 1.30	kJ/mol	NIST
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
ΔvapH°	44.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-4.98		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	[881.00; 914.00]
Inp	889.90		NIST
Inp	895.00		NIST
Inp	889.00		NIST
Inp	893.00		NIST
Inp	894.00		NIST
Inp	897.00		NIST
Inp	900.00		NIST
Inp	889.00		NIST
Inp	881.00		NIST
Inp	909.00		NIST
Inp	893.70		NIST
Inp	885.20		NIST
Inp	882.78		NIST
Inp	881.00		NIST
Inp	883.00		NIST
Inp	887.00		NIST
Inp	Outlier 914.00		NIST
Inp	881.00		NIST
Inp	889.90		NIST
Inp	897.00		NIST
Inp	883.00		NIST
Inp	Outlier 914.00		NIST
Inp	893.70		NIST
Inp	881.00		NIST
Tboil	[418.65; 429.20]	K
Tboil	Outlier 429.20	K	NIST
Tboil	420.65 ± 1.00	K	NIST
Tboil	422.40 ± 1.00	K	NIST
Tboil	420.70 ± 2.00	K	NIST
Tboil	420.65 ± 1.00	K	NIST
Tboil	423.00 ± 2.00	K	NIST
Tboil	421.65 ± 2.00	K	NIST
Tboil	423.00 ± 3.00	K	NIST
Tboil	418.65 ± 2.00	K	NIST
Tc	622.49	K	Relay (1.0) Calculated Property
Tfus	159.45	K	Relay (1.0) Calculated Property
Vc	0.457	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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	[9.53; 268.48]	kPa	[348.15; 464.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.98029e+01
Coefficient B			-7.76031e+03
Coefficient C			-9.55485e+00
Coefficient D			5.46792e-06
Coefficient E			0.00000e+00
Temperature range, min.			348.15
Temperature range, max.			464.15
Pvap	9.53	kPa	348.15	Calculated Property
Pvap	15.69	kPa	361.04	Calculated Property
Pvap	24.79	kPa	373.93	Calculated Property
Pvap	37.78	kPa	386.82	Calculated Property
Pvap	55.75	kPa	399.71	Calculated Property
Pvap	79.96	kPa	412.59	Calculated Property
Pvap	111.76	kPa	425.48	Calculated Property
Pvap	152.68	kPa	438.37	Calculated Property
Pvap	204.34	kPa	451.26	Calculated Property
Pvap	268.48	kPa	464.15	Calculated Property
Pvap	[9.59; 269.93]	kPa	[348.31; 464.42]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38393e+01
Coefficient B			-3.31981e+03
Coefficient C			-6.15870e+01
Reference			Osborn and Douslin, 1974
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			348.31
Temperature range, max.			464.42
Pvap	9.59	kPa	348.31	Calculated Property
Pvap	15.79	kPa	361.21	Calculated Property
Pvap	24.95	kPa	374.11	Calculated Property
Pvap	38.01	kPa	387.01	Calculated Property
Pvap	56.09	kPa	399.91	Calculated Property
Pvap	80.43	kPa	412.82	Calculated Property
Pvap	112.42	kPa	425.72	Calculated Property
Pvap	153.57	kPa	438.62	Calculated Property
Pvap	205.51	kPa	451.52	Calculated Property
Pvap	269.93	kPa	464.42	Calculated Property

Similar Compounds

Find more compounds similar to cis-1-Ethyl-3-methyl-cyclohexane.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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