Chemical Properties of Cyclopentane, 1-ethyl-1-methyl- (CAS 16747-50-5)

InChI

InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3

InChI Key

LETYIFNDQBJGPJ-UHFFFAOYSA-N

Formula

C8H16

SMILES

CCC1(C)CCCC1

Molecular Weight¹

112.21

CAS

16747-50-5

Other Names

• 1-ETHYL-1-METHYLCYCLOPENTANE
• 1-Methyl-1-ethylcyclopentane

• ω : Acentric Factor.
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• 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).
• n₀ : Refractive Index.
• 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	0.2500		KDB
ΔcH°liquid	-5240.96 ± 0.92	kJ/mol	NIST
ΔfG°	47.54	kJ/mol	Joback Calculated Property
Δc,grossH	5242.55	kJ/mol	KDB
Δc,netH	4890.260	kJ/mol	KDB
ΔfH°gas	-132.73	kJ/mol	Joback Calculated Property
ΔfH°liquid	-193.80 ± 1.00	kJ/mol	NIST
ΔfusH°	4.11	kJ/mol	Joback Calculated Property
ΔvapH°	[38.80; 38.90]	kJ/mol
ΔvapH°	38.90	kJ/mol	NIST
ΔvapH°	38.80	kJ/mol	NIST
ΔvapH°	38.90	kJ/mol	NIST
log10WS	-2.82		Crippen Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	3000.00	kPa	KDB
Inp	[780.00; 814.00]
Inp	805.00		NIST
Inp	805.00		NIST
Inp	793.10		NIST
Inp	797.90		NIST
Inp	794.00		NIST
Inp	794.30		NIST
Inp	794.60		NIST
Inp	796.10		NIST
Inp	796.10		NIST
Inp	807.00		NIST
Inp	797.00		NIST
Inp	802.00		NIST
Inp	793.00		NIST
Inp	796.00		NIST
Inp	797.00		NIST
Inp	799.00		NIST
Inp	802.00		NIST
Inp	793.00		NIST
Inp	793.00		NIST
Inp	Outlier 814.00		NIST
Inp	808.00		NIST
Inp	Outlier 780.00		NIST
Inp	788.80		NIST
Inp	789.00		NIST
Inp	792.80		NIST
Inp	785.82		NIST
Inp	786.23		NIST
Inp	790.00		NIST
Inp	793.00		NIST
Inp	805.00		NIST
Inp	791.00		NIST
Inp	798.00		NIST
Inp	791.00		NIST
Inp	796.00		NIST
Inp	789.00		NIST
Inp	792.00		NIST
Inp	793.40		NIST
Inp	794.90		NIST
Inp	797.00		NIST
Inp	798.70		NIST
Inp	800.10		NIST
Inp	801.40		NIST
Inp	793.00		NIST
Inp	795.00		NIST
Inp	798.00		NIST
Inp	800.00		NIST
Inp	801.00		NIST
Inp	803.00		NIST
Inp	789.00		NIST
Inp	Outlier 814.00		NIST
Inp	788.00		NIST
Inp	793.00		NIST
Inp	796.00		NIST
Inp	805.00		NIST
Inp	794.30		NIST
Inp	797.00		NIST
Inp	799.00		NIST
Inp	789.00		NIST
Tboil	[394.60; 395.00]	K
Tboil	394.70	K	KDB
Tboil	394.70	K	NIST
Tboil	394.65 ± 0.40	K	NIST
Tboil	394.67 ± 0.20	K	NIST
Tboil	Outlier 395.00 ± 3.00	K	NIST
Tboil	394.65 ± 0.50	K	NIST
Tboil	394.67 ± 0.02	K	NIST
Tboil	394.60 ± 0.15	K	NIST
Tc	[592.00; 592.00]	K
Tc	592.00	K	KDB
Tc	592.00	K	NIST
Tfus	129.35 ± 0.10	K	NIST
Vc	0.422	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.60; 270.33]	J/mol×K	[383.15; 523.15]
Cp,gas	202.60 ± 0.41	J/mol×K	383.15	NIST
Cp,gas	210.66 ± 0.42	J/mol×K	398.15	NIST
Cp,gas	223.08 ± 0.45	J/mol×K	423.15	NIST
Cp,gas	235.59 ± 0.47	J/mol×K	448.15	NIST
Cp,gas	247.63 ± 0.50	J/mol×K	473.15	NIST
Cp,gas	259.33 ± 0.52	J/mol×K	498.15	NIST
Cp,gas	270.33 ± 0.54	J/mol×K	523.15	NIST
ΔvapH	[33.20; 40.20]	kJ/mol	[263.00; 394.70]
ΔvapH	40.20	kJ/mol	263.00	NIST
ΔvapH	37.30	kJ/mol	356.00	NIST
ΔvapH	36.70	kJ/mol	364.00	NIST
ΔvapH	33.20	kJ/mol	394.70	NIST
n0	1.42476		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[284.74; 421.83]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45909e+01
Coefficient B			-3.62175e+03
Coefficient C			-3.15290e+01
Temperature range, min.			284.74
Temperature range, max.			421.83
Pvap	1.33	kPa	284.74	Calculated Property
Pvap	3.00	kPa	299.97	Calculated Property
Pvap	6.19	kPa	315.20	Calculated Property
Pvap	11.87	kPa	330.44	Calculated Property
Pvap	21.37	kPa	345.67	Calculated Property
Pvap	36.41	kPa	360.90	Calculated Property
Pvap	59.21	kPa	376.13	Calculated Property
Pvap	92.38	kPa	391.37	Calculated Property
Pvap	139.03	kPa	406.60	Calculated Property
Pvap	202.66	kPa	421.83	Calculated Property
Pvap	[0.04; 2982.70]	kPa	[238.15; 592.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.43448e+01
Coefficient B			-7.03824e+03
Coefficient C			-8.81550e+00
Coefficient D			5.18879e-06
Temperature range, min.			238.15
Temperature range, max.			592.00
Pvap	0.04	kPa	238.15	Calculated Property
Pvap	0.81	kPa	277.47	Calculated Property
Pvap	6.59	kPa	316.78	Calculated Property
Pvap	31.35	kPa	356.10	Calculated Property
Pvap	103.58	kPa	395.42	Calculated Property
Pvap	266.10	kPa	434.73	Calculated Property
Pvap	571.79	kPa	474.05	Calculated Property
Pvap	1080.18	kPa	513.37	Calculated Property
Pvap	1857.75	kPa	552.68	Calculated Property
Pvap	2982.70	kPa	592.00	Calculated Property

Similar Compounds

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

Sources

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

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