Chemical Properties of Cyclopentene, 1-methyl- (CAS 693-89-0)

InChI

InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3

InChI Key

ATQUFXWBVZUTKO-UHFFFAOYSA-N

Formula

C6H10

SMILES

CC1=CCCC1

Molecular Weight¹

82.14

CAS

693-89-0

Other Names

• 1-Cyclopentene, 1-methyl
• 1-Methyl-1-cyclopentane
• 1-Methyl-1-cyclopentene
• 1-Methylcyclopentene
• 1-Methylcyclopentene-1
• Cyc1opentene,l-methyl-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• AP : Aniline Point (K).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.2190		KDB
PAff	816.50	kJ/mol	NIST
AP	266.150	K	KDB
BasG	787.10	kJ/mol	NIST
ΔcH°liquid	[-3753.80; -3752.40]	kJ/mol
ΔcH°liquid	-3753.80 ± 0.54	kJ/mol	NIST
ΔcH°liquid	-3752.40 ± 0.59	kJ/mol	NIST
Δc,grossH	3753.76	kJ/mol	KDB
Δc,netH	3533.723	kJ/mol	KDB
ΔfH°gas	[-4.39; -2.50]	kJ/mol
ΔfH°gas	-4.39	kJ/mol	NIST
ΔfH°gas	-3.60 ± 0.75	kJ/mol	NIST
ΔfH°gas	-2.50	kJ/mol	NIST
ΔfH°gas	-4.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	[-37.90; -36.40]	kJ/mol
ΔfH°liquid	-36.40 ± 0.63	kJ/mol	NIST
ΔfH°liquid	-37.90 ± 0.67	kJ/mol	NIST
ΔfusH°	4.99	kJ/mol	Joback Calculated Property
ΔvapH°	[32.60; 34.00]	kJ/mol
ΔvapH°	32.60 ± 0.30	kJ/mol	NIST
ΔvapH°	32.60 ± 0.20	kJ/mol	NIST
ΔvapH°	34.00 ± 2.00	kJ/mol	NIST
ΔvapH°	33.90	kJ/mol	NIST
IE	[8.54; 9.12]	eV
IE	8.59	eV	NIST
IE	8.60 ± 0.01	eV	NIST
IE	Outlier 9.12 ± 0.05	eV	NIST
IE	8.55 ± 0.01	eV	NIST
IE	8.54 ± 0.01	eV	NIST
IE	8.62 ± 0.02	eV	NIST
log10WS	-2.43		Relay (1.0) Calculated Property
logPoct/wat	2.117		Crippen Calculated Property
McVol	80.240	ml/mol	McGowan Calculated Property
Pc	3790.00	kPa	KDB
Inp	[636.00; 677.00]
Inp	654.00		NIST
Inp	654.00		NIST
Inp	651.00		NIST
Inp	646.30		NIST
Inp	663.10		NIST
Inp	659.90		NIST
Inp	649.00		NIST
Inp	649.00		NIST
Inp	660.00		NIST
Inp	654.00		NIST
Inp	644.50		NIST
Inp	646.50		NIST
Inp	643.80		NIST
Inp	646.10		NIST
Inp	650.00		NIST
Inp	642.00		NIST
Inp	641.00		NIST
Inp	645.00		NIST
Inp	648.00		NIST
Inp	647.00		NIST
Inp	648.00		NIST
Inp	650.00		NIST
Inp	644.55		NIST
Inp	651.00		NIST
Inp	643.00		NIST
Inp	647.00		NIST
Inp	650.00		NIST
Inp	648.00		NIST
Inp	644.00		NIST
Inp	647.00		NIST
Inp	Outlier 673.00		NIST
Inp	Outlier 677.00		NIST
Inp	644.50		NIST
Inp	646.60		NIST
Inp	649.00		NIST
Inp	644.00		NIST
Inp	647.00		NIST
Inp	649.00		NIST
Inp	642.00		NIST
Inp	645.00		NIST
Inp	648.00		NIST
Inp	650.00		NIST
Inp	660.00		NIST
Inp	647.00		NIST
Inp	647.00		NIST
Inp	Outlier 675.00		NIST
Inp	648.60		NIST
Inp	649.00		NIST
Inp	641.72		NIST
Inp	642.00		NIST
Inp	645.00		NIST
Inp	643.00		NIST
Inp	644.00		NIST
Inp	643.00		NIST
Inp	640.00		NIST
Inp	636.00		NIST
Inp	643.00		NIST
Inp	648.00		NIST
Inp	646.00		NIST
Inp	654.00		NIST
Inp	Outlier 674.00		NIST
Inp	647.00		NIST
Inp	647.00		NIST
Inp	643.00		NIST
Inp	654.00		NIST
Inp	662.00		NIST
Inp	653.00		NIST
Inp	654.00		NIST
Inp	659.90		NIST
Inp	644.50		NIST
Inp	642.00		NIST
Inp	648.00		NIST
Inp	647.00		NIST
Inp	Outlier 673.00		NIST
Inp	644.00		NIST
Inp	Outlier 675.00		NIST
Inp	643.00		NIST
Ip	[781.50; 792.00]
Ip	792.00		NIST
Ip	782.00		NIST
Ip	786.00		NIST
Ip	792.00		NIST
Ip	791.90		NIST
Ip	781.50		NIST
Ip	786.00		NIST
Ip	791.90		NIST
Ip	781.50		NIST
Ip	786.00		NIST
Ip	792.00		NIST
Ip	781.50		NIST
Tboil	[343.00; 351.00]	K
Tboil	349.00	K	KDB
Tboil	348.70	K	NIST
Tboil	348.60 ± 0.40	K	NIST
Tboil	349.00 ± 3.00	K	NIST
Tboil	Outlier 351.00 ± 1.00	K	NIST
Tboil	348.90 ± 2.00	K	NIST
Tboil	348.90 ± 0.20	K	NIST
Tboil	349.00 ± 3.00	K	NIST
Tboil	348.64 ± 0.30	K	NIST
Tboil	347.90 ± 2.00	K	NIST
Tboil	348.75 ± 0.30	K	NIST
Tboil	347.70 ± 2.00	K	NIST
Tboil	348.20 ± 2.00	K	NIST
Tboil	349.00 ± 0.40	K	NIST
Tboil	348.35 ± 0.50	K	NIST
Tboil	348.00 ± 3.00	K	NIST
Tboil	348.00 ± 3.00	K	NIST
Tboil	348.00 ± 3.00	K	NIST
Tboil	348.75 ± 0.30	K	NIST
Tboil	348.90 ± 2.00	K	NIST
Tboil	348.95 ± 0.60	K	NIST
Tboil	347.00 ± 3.00	K	NIST
Tboil	348.95 ± 0.50	K	NIST
Tboil	349.00 ± 0.20	K	NIST
Tboil	348.90 ± 2.00	K	NIST
Tboil	348.65 ± 0.50	K	NIST
Tboil	349.00 ± 3.00	K	NIST
Tboil	347.00 ± 6.00	K	NIST
Tboil	Outlier 343.00 ± 5.00	K	NIST
Tc	542.00	K	KDB
Tfus	[146.00; 149.80]	K
Tfus	146.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	146.00	K	KDB
Tfus	146.58 ± 0.06	K	NIST
Tfus	146.59 ± 0.04	K	NIST
Tfus	146.62 ± 0.02	K	NIST
Tfus	146.85 ± 0.50	K	NIST
Tfus	146.20 ± 0.50	K	NIST
Tfus	146.15 ± 0.50	K	NIST
Tfus	146.15 ± 0.50	K	NIST
Tfus	Outlier 149.80 ± 1.00	K	NIST
Tfus	146.00 ± 0.80	K	NIST
Tfus	146.00 ± 2.00	K	NIST
Vc	0.294	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[93.35; 271.17]	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			-4.69100e+01
Coefficient B			6.16520e-01
Coefficient C			-4.05640e-04
Coefficient D			1.07200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	93.35	J/mol×K	273.00	Calculated Property
Cp,gas	125.18	J/mol×K	353.78	Calculated Property
Cp,gas	153.20	J/mol×K	434.56	Calculated Property
Cp,gas	177.75	J/mol×K	515.33	Calculated Property
Cp,gas	199.17	J/mol×K	596.11	Calculated Property
Cp,gas	217.80	J/mol×K	676.89	Calculated Property
Cp,gas	233.97	J/mol×K	757.67	Calculated Property
Cp,gas	248.03	J/mol×K	838.44	Calculated Property
Cp,gas	260.32	J/mol×K	919.22	Calculated Property
Cp,gas	271.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0097179; 0.0002344]	Pa×s	[146.30; 379.40]	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			-1.06965e+01
Coefficient B			8.86970e+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.			146.30
Temperature range, max.			379.40
η	0.0097179	Pa×s	146.30	Calculated Property
η	0.0039043	Pa×s	172.20	Calculated Property
η	0.0019910	Pa×s	198.10	Calculated Property
η	0.0011864	Pa×s	224.00	Calculated Property
η	0.0007871	Pa×s	249.90	Calculated Property
η	0.0005640	Pa×s	275.80	Calculated Property
η	0.0004279	Pa×s	301.70	Calculated Property
η	0.0003392	Pa×s	327.60	Calculated Property
η	0.0002781	Pa×s	353.50	Calculated Property
η	0.0002344	Pa×s	379.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[252.45; 373.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39480e+01
Coefficient B			-2.84120e+03
Coefficient C			-4.44650e+01
Temperature range, min.			252.45
Temperature range, max.			373.44
Pvap	1.33	kPa	252.45	Calculated Property
Pvap	3.05	kPa	265.89	Calculated Property
Pvap	6.37	kPa	279.34	Calculated Property
Pvap	12.26	kPa	292.78	Calculated Property
Pvap	22.06	kPa	306.22	Calculated Property
Pvap	37.48	kPa	319.67	Calculated Property
Pvap	60.63	kPa	333.11	Calculated Property
Pvap	93.95	kPa	346.55	Calculated Property
Pvap	140.26	kPa	360.00	Calculated Property
Pvap	202.65	kPa	373.44	Calculated Property
Pvap	[3.48; 3789.23]	kPa	[268.15; 541.99]	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			6.71668e+01
Coefficient B			-5.97528e+03
Coefficient C			-7.87810e+00
Coefficient D			5.76113e-06
Coefficient E			0.00000e+00
Temperature range, min.			268.15
Temperature range, max.			541.99
Pvap	3.48	kPa	268.15	Calculated Property
Pvap	15.97	kPa	298.58	Calculated Property
Pvap	52.81	kPa	329.00	Calculated Property
Pvap	138.10	kPa	359.43	Calculated Property
Pvap	303.88	kPa	389.86	Calculated Property
Pvap	587.68	kPa	420.28	Calculated Property
Pvap	1030.72	kPa	450.71	Calculated Property
Pvap	1677.56	kPa	481.14	Calculated Property
Pvap	2577.77	kPa	511.56	Calculated Property
Pvap	3789.23	kPa	541.99	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentene, 1-methyl-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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