Chemical Properties of trans-1-ethyl-3-methylcyclohexane

InChI

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

InChI Key

UDDVMPHNQKRNNS-RKDXNWHRSA-N

Formula

C9H18

SMILES

CC[C@@H]1CCC[C@@H](C)C1

Molecular Weight¹

126.24

Other Names

• 1-Ethyl-3-methylcyclohexane, trans

• 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	0.2295		Relay (1.0) Calculated Property
ΔfG°	41.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-192.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
ΔvapH°	42.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-4.90		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	[902.00; 926.00]
Inp	902.00		NIST
Inp	906.00		NIST
Inp	908.00		NIST
Inp	910.00		NIST
Inp	914.00		NIST
Inp	902.00		NIST
Inp	926.00		NIST
Inp	911.00		NIST
Inp	926.00		NIST
Inp	911.00		NIST
Tboil	[421.70; 421.70]	K
Tboil	421.70 ± 1.00	K	NIST
Tboil	421.70 ± 1.00	K	NIST
Tboil	421.70 ± 2.00	K	NIST
Tboil	421.70 ± 2.00	K	NIST
Tc	633.36	K	Relay (1.0) Calculated Property
Tfus	164.84	K	Relay (1.0) Calculated Property
Vc	0.485	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

Similar Compounds

Find more compounds similar to trans-1-ethyl-3-methylcyclohexane.

Sources

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

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