Chemical Properties of trans-1,2-ethylmethylcyclopentane (CAS 930-89-2)

InChI

InChI=1S/C8H16/c1-3-8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1

InChI Key

BSKOLJVTLRLTHE-JGVFFNPUSA-N

Formula

C8H16

SMILES

CCC1CCCC1C

Molecular Weight¹

112.21

CAS

930-89-2

Other Names

• 1-Ethyl-2-methylcyclopentane, (Z)-
• 1-Ethyl-2-methylcyclopentane, cis
• 1-Methyl-cis-2-ethylcyclopentane
• Cyclopentane, 1-ethyl-2-methyl-, cis-
• Methyl-cis-2-ethylcyclopentane
• c-1-Ethyl-2-methylcyclopentane
• cis-1-Ethyl-2-Methylcyclopentane
• cis-1-Methyl-2-ethylcyclopentane

• 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	0.2940		Passut and Danner (1973), critical constants and acentric factors Compiled value
ΔcH°liquid	-5243.89 ± 0.92	kJ/mol	NIST
ΔfG°	45.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-149.95	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-190.80 ± 1.00	kJ/mol	NIST
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
ΔvapH°	40.20	kJ/mol	NIST
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	2988.88	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Inp	[787.51; 846.00]
Inp	Outlier 787.51		NIST
Inp	820.10		NIST
Inp	825.30		NIST
Inp	820.70		NIST
Inp	820.30		NIST
Inp	820.80		NIST
Inp	825.30		NIST
Inp	825.40		NIST
Inp	833.00		NIST
Inp	823.00		NIST
Inp	828.00		NIST
Inp	821.00		NIST
Inp	826.00		NIST
Inp	820.00		NIST
Inp	823.00		NIST
Inp	824.00		NIST
Inp	826.00		NIST
Inp	829.00		NIST
Inp	821.10		NIST
Inp	820.00		NIST
Inp	Outlier 846.00		NIST
Inp	816.00		NIST
Inp	821.00		NIST
Inp	826.00		NIST
Inp	830.00		NIST
Inp	837.00		NIST
Inp	820.60		NIST
Inp	815.95		NIST
Inp	827.00		NIST
Inp	818.90		NIST
Inp	817.00		NIST
Inp	832.00		NIST
Inp	817.00		NIST
Inp	825.00		NIST
Inp	816.00		NIST
Inp	822.00		NIST
Inp	Outlier 790.00		NIST
Inp	822.00		NIST
Inp	821.30		NIST
Inp	823.20		NIST
Inp	826.00		NIST
Inp	828.10		NIST
Inp	829.80		NIST
Inp	831.30		NIST
Inp	820.00		NIST
Inp	822.00		NIST
Inp	825.00		NIST
Inp	827.00		NIST
Inp	829.00		NIST
Inp	831.00		NIST
Inp	820.10		NIST
Inp	825.30		NIST
Inp	821.00		NIST
Inp	826.00		NIST
Inp	816.00		NIST
Inp	820.60		NIST
Inp	Outlier 790.00		NIST
Inp	828.10		NIST
Inp	825.00		NIST
Tboil	[401.00; 401.20]	K
Tboil	401.20	K	KDB
Tboil	401.20	K	NIST
Tboil	401.10 ± 0.10	K	NIST
Tboil	401.20 ± 0.20	K	NIST
Tboil	401.20 ± 0.30	K	NIST
Tboil	401.20 ± 0.02	K	NIST
Tboil	Outlier 401.00 ± 2.00	K	NIST
Tc	595.93	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tfus	[164.40; 379.10]	K
Tfus	166.45 ± 0.30	K	NIST
Tfus	166.46 ± 0.06	K	NIST
Tfus	167.21 ± 0.06	K	NIST
Tfus	167.14 ± 0.10	K	NIST
Tfus	167.20 ± 0.07	K	NIST
Tfus	Outlier 379.10 ± 0.10	K	NIST
Tfus	164.40 ± 3.00	K	NIST
Tfus	164.40 ± 2.00	K	NIST
Vc	0.404	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[38.30; 42.50]	kJ/mol	[263.00; 362.00]
ΔvapH	41.60	kJ/mol	263.00	NIST
ΔvapH	42.50	kJ/mol	271.00	NIST
ΔvapH	39.30	kJ/mol	353.00	NIST
ΔvapH	38.30	kJ/mol	362.00	NIST

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	[0.0035663; 0.0002566]	Pa×s	[166.18; 417.15]	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.			166.18
Temperature range, max.			417.15
η	0.0035663	Pa×s	166.18	Calculated Property
η	0.0019021	Pa×s	194.07	Calculated Property
η	0.0011881	Pa×s	221.95	Calculated Property
η	0.0008243	Pa×s	249.84	Calculated Property
η	0.0006155	Pa×s	277.72	Calculated Property
η	0.0004847	Pa×s	305.61	Calculated Property
η	0.0003973	Pa×s	333.49	Calculated Property
η	0.0003358	Pa×s	361.38	Calculated Property
η	0.0002907	Pa×s	389.26	Calculated Property
η	0.0002566	Pa×s	417.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[291.57; 428.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39419e+01
Coefficient B			-3.21987e+03
Coefficient C			-5.57510e+01
Temperature range, min.			291.57
Temperature range, max.			428.84
Pvap	1.33	kPa	291.57	Calculated Property
Pvap	3.06	kPa	306.82	Calculated Property
Pvap	6.37	kPa	322.07	Calculated Property
Pvap	12.26	kPa	337.33	Calculated Property
Pvap	22.07	kPa	352.58	Calculated Property
Pvap	37.50	kPa	367.83	Calculated Property
Pvap	60.65	kPa	383.08	Calculated Property
Pvap	93.98	kPa	398.34	Calculated Property
Pvap	140.29	kPa	413.59	Calculated Property
Pvap	202.67	kPa	428.84	Calculated Property
Pvap	[0.03; 1.12]	kPa	[238.15; 288.15]	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			7.66373e+01
Coefficient B			-7.06332e+03
Coefficient C			-9.36311e+00
Coefficient D			1.22005e-05
Coefficient E			0.00000e+00
Temperature range, min.			238.15
Temperature range, max.			288.15
Pvap	0.03	kPa	238.15	Calculated Property
Pvap	0.05	kPa	243.71	Calculated Property
Pvap	0.07	kPa	249.26	Calculated Property
Pvap	0.11	kPa	254.82	Calculated Property
Pvap	0.18	kPa	260.37	Calculated Property
Pvap	0.26	kPa	265.93	Calculated Property
Pvap	0.39	kPa	271.48	Calculated Property
Pvap	0.56	kPa	277.04	Calculated Property
Pvap	0.80	kPa	282.59	Calculated Property
Pvap	1.12	kPa	288.15	Calculated Property
Pvap	[0.03; 1.11]	kPa	[238.00; 288.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56486e+01
Coefficient B			-4.05474e+03
Coefficient C			-2.72100e+01
Reference			Osborn and Douslin, 1974
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			238.00
Temperature range, max.			288.00
Pvap	0.03	kPa	238.00	Calculated Property
Pvap	0.05	kPa	243.56	Calculated Property
Pvap	0.07	kPa	249.11	Calculated Property
Pvap	0.11	kPa	254.67	Calculated Property
Pvap	0.17	kPa	260.22	Calculated Property
Pvap	0.26	kPa	265.78	Calculated Property
Pvap	0.38	kPa	271.33	Calculated Property
Pvap	0.55	kPa	276.89	Calculated Property
Pvap	0.79	kPa	282.44	Calculated Property
Pvap	1.11	kPa	288.00	Calculated Property
Pvap	[6.40; 104.00]	kPa	[322.00; 402.17]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39128e+01
Coefficient B			-3.21373e+03
Coefficient C			-5.54280e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			322.00
Temperature range, max.			402.17
Pvap	6.40	kPa	322.00	Calculated Property
Pvap	9.46	kPa	330.91	Calculated Property
Pvap	13.63	kPa	339.82	Calculated Property
Pvap	19.21	kPa	348.72	Calculated Property
Pvap	26.53	kPa	357.63	Calculated Property
Pvap	35.98	kPa	366.54	Calculated Property
Pvap	47.96	kPa	375.45	Calculated Property
Pvap	62.95	kPa	384.35	Calculated Property
Pvap	81.45	kPa	393.26	Calculated Property
Pvap	104.00	kPa	402.17	Calculated Property
Pvap	[6.40; 104.00]	kPa	[322.00; 402.17]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39128e+01
Coefficient B			-3.21373e+03
Coefficient C			-5.54280e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			322.00
Temperature range, max.			402.17
Pvap	6.40	kPa	322.00	Calculated Property
Pvap	9.46	kPa	330.91	Calculated Property
Pvap	13.63	kPa	339.82	Calculated Property
Pvap	19.21	kPa	348.72	Calculated Property
Pvap	26.53	kPa	357.63	Calculated Property
Pvap	35.98	kPa	366.54	Calculated Property
Pvap	47.96	kPa	375.45	Calculated Property
Pvap	62.95	kPa	384.35	Calculated Property
Pvap	81.45	kPa	393.26	Calculated Property
Pvap	104.00	kPa	402.17	Calculated Property

Similar Compounds

Find more compounds similar to trans-1,2-ethylmethylcyclopentane.

Sources

• KDB Vapor Pressure Data
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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