Chemical Properties of Cyclopentene, 3-ethyl- (CAS 694-35-9)

InChI

InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h3,5,7H,2,4,6H2,1H3

InChI Key

HICUGGYRYZOXJI-UHFFFAOYSA-N

Formula

C7H12

SMILES

CCC1C=CCC1

Molecular Weight¹

96.17

CAS

694-35-9

Other Names

• 3-Ethyl-1-cyclopentene
• 3-Ethylcyclopentene
• 3-Ethylcyclopentene-1

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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.
• I_p : 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	0.2238		Relay (1.0) Calculated Property
ΔfH°gas	-12.40	kJ/mol	NIST
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	33.79	kJ/mol	Relay (1.0) Calculated Property
IE	[8.88; 8.91]	eV
IE	8.88 ± 0.01	eV	NIST
IE	8.91 ± 0.05	eV	NIST
logPoct/wat	2.363		Crippen Calculated Property
McVol	94.330	ml/mol	McGowan Calculated Property
Pc	3568.53	kPa	Joback Calculated Property
Inp	[709.00; 748.00]
Inp	716.00		NIST
Inp	717.00		NIST
Inp	712.40		NIST
Inp	716.60		NIST
Inp	709.00		NIST
Inp	712.00		NIST
Inp	714.00		NIST
Inp	715.00		NIST
Inp	716.00		NIST
Inp	716.00		NIST
Inp	720.00		NIST
Inp	722.00		NIST
Inp	712.00		NIST
Inp	716.00		NIST
Inp	Outlier 743.00		NIST
Inp	Outlier 748.00		NIST
Inp	712.90		NIST
Inp	715.30		NIST
Inp	718.70		NIST
Inp	713.00		NIST
Inp	715.00		NIST
Inp	719.00		NIST
Inp	710.00		NIST
Inp	714.00		NIST
Inp	716.00		NIST
Inp	720.00		NIST
Inp	712.00		NIST
Inp	715.00		NIST
Inp	718.00		NIST
Inp	715.00		NIST
Ip	[836.00; 849.20]
Ip	849.00		NIST
Ip	836.00		NIST
Ip	843.00		NIST
Ip	849.00		NIST
Ip	849.20		NIST
Ip	836.50		NIST
Ip	842.80		NIST
Ip	849.20		NIST
Ip	836.50		NIST
Ip	842.80		NIST
Tboil	[369.00; 371.30]	K
Tboil	371.00	K	NIST
Tboil	371.20 ± 1.00	K	NIST
Tboil	370.92 ± 0.30	K	NIST
Tboil	370.00 ± 3.00	K	NIST
Tboil	370.96 ± 0.30	K	NIST
Tboil	370.96 ± 0.30	K	NIST
Tboil	370.95 ± 0.20	K	NIST
Tboil	370.96 ± 0.20	K	NIST
Tboil	Outlier 369.00 ± 3.00	K	NIST
Tboil	371.30 ± 1.00	K	NIST
Tc	557.81	K	Relay (1.0) Calculated Property
Tfus	147.21	K	Relay (1.0) Calculated Property
Vc	0.348	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.28; 332.46]	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			-5.61790e+01
Coefficient B			7.44520e-01
Coefficient C			-4.71680e-04
Coefficient D			1.15800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.28	J/mol×K	273.00	Calculated Property
Cp,gas	153.31	J/mol×K	353.78	Calculated Property
Cp,gas	187.79	J/mol×K	434.56	Calculated Property
Cp,gas	218.08	J/mol×K	515.33	Calculated Property
Cp,gas	244.56	J/mol×K	596.11	Calculated Property
Cp,gas	267.58	J/mol×K	676.89	Calculated Property
Cp,gas	287.51	J/mol×K	757.67	Calculated Property
Cp,gas	304.73	J/mol×K	838.44	Calculated Property
Cp,gas	319.59	J/mol×K	919.22	Calculated Property
Cp,gas	332.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026035; 0.0002394]	Pa×s	[180.31; 399.25]	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			-1.03029e+01
Coefficient B			7.84700e+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.			180.31
Temperature range, max.			399.25
η	0.0026035	Pa×s	180.31	Calculated Property
η	0.0015519	Pa×s	204.64	Calculated Property
η	0.0010326	Pa×s	228.96	Calculated Property
η	0.0007430	Pa×s	253.29	Calculated Property
η	0.0005664	Pa×s	277.62	Calculated Property
η	0.0004510	Pa×s	301.94	Calculated Property
η	0.0003716	Pa×s	326.27	Calculated Property
η	0.0003145	Pa×s	350.59	Calculated Property
η	0.0002720	Pa×s	374.92	Calculated Property
η	0.0002394	Pa×s	399.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[270.49; 396.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40011e+01
Coefficient B			-2.98629e+03
Coefficient C			-5.27260e+01
Temperature range, min.			270.49
Temperature range, max.			396.39
Pvap	1.33	kPa	270.49	Calculated Property
Pvap	3.05	kPa	284.48	Calculated Property
Pvap	6.35	kPa	298.47	Calculated Property
Pvap	12.22	kPa	312.46	Calculated Property
Pvap	22.00	kPa	326.45	Calculated Property
Pvap	37.39	kPa	340.43	Calculated Property
Pvap	60.51	kPa	354.42	Calculated Property
Pvap	93.82	kPa	368.41	Calculated Property
Pvap	140.16	kPa	382.40	Calculated Property
Pvap	202.66	kPa	396.39	Calculated Property
Pvap	[19.75; 107.77]	kPa	[323.15; 373.15]	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			9.37676e+01
Coefficient B			-7.43524e+03
Coefficient C			-1.18988e+01
Coefficient D			9.35331e-06
Coefficient E			0.00000e+00
Temperature range, min.			323.15
Temperature range, max.			373.15
Pvap	19.75	kPa	323.15	Calculated Property
Pvap	24.61	kPa	328.71	Calculated Property
Pvap	30.39	kPa	334.26	Calculated Property
Pvap	37.21	kPa	339.82	Calculated Property
Pvap	45.20	kPa	345.37	Calculated Property
Pvap	54.51	kPa	350.93	Calculated Property
Pvap	65.26	kPa	356.48	Calculated Property
Pvap	77.61	kPa	362.04	Calculated Property
Pvap	91.73	kPa	367.59	Calculated Property
Pvap	107.77	kPa	373.15	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentene, 3-ethyl-.

Sources

• KDB Vapor Pressure Data
• 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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