Chemical Properties of 1-Propylcyclopentene (CAS 3074-61-1)

InChI

InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h6H,2-5,7H2,1H3

InChI Key

FLWGCAJANMGQBB-UHFFFAOYSA-N

Formula

C8H14

SMILES

CCCC1=CCCC1

Molecular Weight¹

110.20

CAS

3074-61-1

Other Names

• 1-Propyl-1-cyclopentene
• 1-n-Propylcyclopentene
• Cyclopentene, 1-propyl-

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2621		Relay (1.0) Calculated Property
ΔfH°gas	-46.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.17	kJ/mol	Joback Calculated Property
ΔvapH°	41.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.48 ± 0.01	eV	NIST
logPoct/wat	2.897		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Pc	3257.86	kPa	Joback Calculated Property
Inp	[831.00; 868.00]
Inp	836.00		NIST
Inp	839.00		NIST
Inp	838.00		NIST
Inp	841.00		NIST
Inp	840.00		NIST
Inp	831.00		NIST
Inp	841.00		NIST
Inp	838.00		NIST
Inp	Outlier 862.00		NIST
Inp	Outlier 868.00		NIST
Inp	836.50		NIST
Inp	839.20		NIST
Inp	836.00		NIST
Inp	839.00		NIST
Inp	839.00		NIST
Inp	836.00		NIST
Ip	[954.00; 972.10]
Ip	972.00		NIST
Ip	959.00		NIST
Ip	966.00		NIST
Ip	961.00		NIST
Ip	965.00		NIST
Ip	968.00		NIST
Ip	954.00		NIST
Ip	958.00		NIST
Ip	961.00		NIST
Ip	964.90		NIST
Ip	968.10		NIST
Ip	954.00		NIST
Ip	958.40		NIST
Ip	972.00		NIST
Ip	972.10		NIST
Ip	959.40		NIST
Ip	966.40		NIST
Ip	972.10		NIST
Ip	959.40		NIST
Ip	966.40		NIST
Ip	972.00		NIST
Ip	968.00		NIST
Ip	968.10		NIST
Ip	959.40		NIST
Tboil	[405.00; 452.00]	K
Tboil	452.00 ± 4.00	K	NIST
Tboil	405.20 ± 2.00	K	NIST
Tboil	405.00 ± 3.00	K	NIST
Tc	598.52	K	Relay (1.0) Calculated Property
Tfus	[172.90; 172.90]	K
Tfus	172.90 ± 0.50	K	NIST
Tfus	172.90 ± 2.00	K	NIST

Cheméo can also estimate Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.78; 374.35]	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			-4.87280e+01
Coefficient B			8.06520e-01
Coefficient C			-5.14440e-04
Coefficient D			1.31000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.78	J/mol×K	273.00	Calculated Property
Cp,gas	178.01	J/mol×K	353.78	Calculated Property
Cp,gas	215.35	J/mol×K	434.56	Calculated Property
Cp,gas	248.21	J/mol×K	515.33	Calculated Property
Cp,gas	276.99	J/mol×K	596.11	Calculated Property
Cp,gas	302.12	J/mol×K	676.89	Calculated Property
Cp,gas	324.00	J/mol×K	757.67	Calculated Property
Cp,gas	343.06	J/mol×K	838.44	Calculated Property
Cp,gas	359.71	J/mol×K	919.22	Calculated Property
Cp,gas	374.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102389; 0.0002598]	Pa×s	[172.90; 422.52]	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			-1.08007e+01
Coefficient B			1.07529e+03
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.			172.90
Temperature range, max.			422.52
η	0.0102389	Pa×s	172.90	Calculated Property
η	0.0043340	Pa×s	200.64	Calculated Property
η	0.0022605	Pa×s	228.37	Calculated Property
η	0.0013575	Pa×s	256.11	Calculated Property
η	0.0009007	Pa×s	283.84	Calculated Property
η	0.0006429	Pa×s	311.58	Calculated Property
η	0.0004849	Pa×s	339.31	Calculated Property
η	0.0003816	Pa×s	367.05	Calculated Property
η	0.0003106	Pa×s	394.78	Calculated Property
η	0.0002598	Pa×s	422.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[295.89; 432.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40000e+01
Coefficient B			-3.24721e+03
Coefficient C			-5.90780e+01
Temperature range, min.			295.89
Temperature range, max.			432.81
Pvap	1.33	kPa	295.89	Calculated Property
Pvap	3.05	kPa	311.10	Calculated Property
Pvap	6.35	kPa	326.32	Calculated Property
Pvap	12.23	kPa	341.53	Calculated Property
Pvap	22.00	kPa	356.74	Calculated Property
Pvap	37.39	kPa	371.96	Calculated Property
Pvap	60.51	kPa	387.17	Calculated Property
Pvap	93.82	kPa	402.38	Calculated Property
Pvap	140.15	kPa	417.60	Calculated Property
Pvap	202.64	kPa	432.81	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propylcyclopentene.

Sources

• 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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