Chemical Properties of trans-1-Ethyl-2-methyl-cyclopentane (CAS 930-90-5)

InChI

InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

InChI Key

BSKOLJVTLRLTHE-HTQZYQBOSA-N

Formula

C8H16

SMILES

CC[C@@H]1CCC[C@H]1C

Molecular Weight¹

112.22

CAS

930-90-5

Other Names

• 1-Ethyl-2-methylcyclopentane, trans
• 1-ethyl-2-methyl(trans)-cyclopentane
• 1-methyl-trans-2-ethylcyclopentane
• Cyclopentane, 1-ethyl-2-methyl-, trans-
• Cyclopentane, 2-ethyl-1-methyl, trans
• trans-1,2-ethylmethylcyclopentane
• 1-trans-2-Ethylmethylcyclopentane

• 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	0.2396		Relay (1.0) Calculated Property
ΔcH°liquid	-5239.62 ± 0.84	kJ/mol	NIST
ΔfG°	45.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.50	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-195.10 ± 1.00	kJ/mol	NIST
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
ΔvapH°	39.30	kJ/mol	NIST
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2956.90	kPa	Joback Calculated Property
Inp	[779.00; 811.00]
Inp	787.00		NIST
Inp	Outlier 779.00		NIST
Inp	788.00		NIST
Inp	791.80		NIST
Inp	791.80		NIST
Inp	792.20		NIST
Inp	791.90		NIST
Inp	790.00		NIST
Inp	794.20		NIST
Inp	787.10		NIST
Inp	789.10		NIST
Inp	791.10		NIST
Inp	793.10		NIST
Inp	791.20		NIST
Inp	791.80		NIST
Inp	792.20		NIST
Inp	789.00		NIST
Inp	789.00		NIST
Inp	789.00		NIST
Inp	801.00		NIST
Inp	793.00		NIST
Inp	797.00		NIST
Inp	800.00		NIST
Inp	789.00		NIST
Inp	792.00		NIST
Inp	793.00		NIST
Inp	795.00		NIST
Inp	797.00		NIST
Inp	789.00		NIST
Inp	Outlier 811.00		NIST
Inp	787.00		NIST
Inp	791.00		NIST
Inp	795.00		NIST
Inp	799.00		NIST
Inp	Outlier 806.00		NIST
Inp	787.70		NIST
Inp	790.50		NIST
Inp	789.20		NIST
Inp	800.00		NIST
Inp	789.00		NIST
Inp	795.00		NIST
Inp	795.00		NIST
Inp	783.00		NIST
Inp	790.60		NIST
Inp	791.90		NIST
Inp	794.00		NIST
Inp	795.60		NIST
Inp	796.90		NIST
Inp	798.00		NIST
Inp	790.00		NIST
Inp	792.00		NIST
Inp	794.00		NIST
Inp	796.00		NIST
Inp	797.00		NIST
Inp	798.00		NIST
Inp	Outlier 779.00		NIST
Inp	Outlier 779.00		NIST
Inp	791.90		NIST
Inp	791.10		NIST
Inp	789.00		NIST
Inp	797.00		NIST
Inp	795.00		NIST
Inp	791.00		NIST
Inp	790.50		NIST
Inp	787.00		NIST
Tboil	[394.29; 394.70]	K
Tboil	394.29 ± 0.20	K	NIST
Tboil	394.40 ± 0.30	K	NIST
Tboil	394.70 ± 2.00	K	NIST
Tc	621.46	K	Relay (1.0) Calculated Property
Tfus	164.40 ± 5.00	K	NIST
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.23; 422.01]	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			-5.89290e+01
Coefficient B			8.69040e-01
Coefficient C			-4.83400e-04
Coefficient D			9.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.23	J/mol×K	273.00	Calculated Property
Cp,gas	192.24	J/mol×K	353.78	Calculated Property
Cp,gas	235.25	J/mol×K	434.56	Calculated Property
Cp,gas	273.58	J/mol×K	515.33	Calculated Property
Cp,gas	307.53	J/mol×K	596.11	Calculated Property
Cp,gas	337.39	J/mol×K	676.89	Calculated Property
Cp,gas	363.46	J/mol×K	757.67	Calculated Property
Cp,gas	386.06	J/mol×K	838.44	Calculated Property
Cp,gas	405.47	J/mol×K	919.22	Calculated Property
Cp,gas	422.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037393; 0.0002647]	Pa×s	[164.40; 409.85]	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			-1.00106e+01
Coefficient B			7.26930e+02
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.			164.40
Temperature range, max.			409.85
η	0.0037393	Pa×s	164.40	Calculated Property
η	0.0019932	Pa×s	191.67	Calculated Property
η	0.0012428	Pa×s	218.94	Calculated Property
η	0.0008603	Pa×s	246.22	Calculated Property
η	0.0006409	Pa×s	273.49	Calculated Property
η	0.0005037	Pa×s	300.76	Calculated Property
η	0.0004120	Pa×s	328.03	Calculated Property
η	0.0003475	Pa×s	355.31	Calculated Property
η	0.0003004	Pa×s	382.58	Calculated Property
η	0.0002647	Pa×s	409.85	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[286.09; 421.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39877e+01
Coefficient B			-3.20700e+03
Coefficient C			-5.20040e+01
Temperature range, min.			286.09
Temperature range, max.			421.64
Pvap	1.33	kPa	286.09	Calculated Property
Pvap	3.05	kPa	301.15	Calculated Property
Pvap	6.36	kPa	316.21	Calculated Property
Pvap	12.23	kPa	331.27	Calculated Property
Pvap	22.02	kPa	346.33	Calculated Property
Pvap	37.42	kPa	361.40	Calculated Property
Pvap	60.54	kPa	376.46	Calculated Property
Pvap	93.86	kPa	391.52	Calculated Property
Pvap	140.20	kPa	406.58	Calculated Property
Pvap	202.67	kPa	421.64	Calculated Property

Similar Compounds

Find more compounds similar to trans-1-Ethyl-2-methyl-cyclopentane.

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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