Chemical Properties of 1-Pentene, 3-ethyl-4-methyl- (CAS 61847-80-1)

InChI

InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h5,7-8H,1,6H2,2-4H3

InChI Key

DTNALCAUPPLROB-UHFFFAOYSA-N

Formula

C8H16

SMILES

C=CC(CC)C(C)C

Molecular Weight¹

112.21

CAS

61847-80-1

Other Names

• 3-Ethyl-4-methylpent-1-ene
• 3-ethyl-4-methyl-1-pentene
• 4-methyl-3-ethyl-1-pentene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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	0.2655		Relay (1.0) Calculated Property
ΔfusH°	8.15	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
IE	9.27	eV	Relay (1.0) Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2690.21	kPa	Joback Calculated Property
Inp	[720.80; 731.80]
Inp	731.80		NIST
Inp	720.80		NIST
Inp	731.00		NIST
Inp	725.00		NIST
Inp	726.00		NIST
Inp	731.80		NIST
Tboil	380.70 ± 1.00	K	NIST
Tc	545.33	K	Relay (1.0) Calculated Property
Tfus	147.65	K	Relay (1.0) Calculated Property
Vc	0.421	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, 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	[164.75; 404.62]	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			-1.07390e+01
Coefficient B			7.55660e-01
Coefficient C			-4.40700e-04
Coefficient D			1.00400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.75	J/mol×K	273.00	Calculated Property
Cp,gas	205.88	J/mol×K	353.78	Calculated Property
Cp,gas	242.66	J/mol×K	434.56	Calculated Property
Cp,gas	275.38	J/mol×K	515.33	Calculated Property
Cp,gas	304.38	J/mol×K	596.11	Calculated Property
Cp,gas	329.98	J/mol×K	676.89	Calculated Property
Cp,gas	352.48	J/mol×K	757.67	Calculated Property
Cp,gas	372.21	J/mol×K	838.44	Calculated Property
Cp,gas	389.48	J/mol×K	919.22	Calculated Property
Cp,gas	404.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0184203; 0.0002095]	Pa×s	[148.16; 387.24]	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			-1.12446e+01
Coefficient B			1.07420e+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.			148.16
Temperature range, max.			387.24
η	0.0184203	Pa×s	148.16	Calculated Property
η	0.0061175	Pa×s	174.72	Calculated Property
η	0.0027177	Pa×s	201.29	Calculated Property
η	0.0014588	Pa×s	227.85	Calculated Property
η	0.0008917	Pa×s	254.42	Calculated Property
η	0.0005982	Pa×s	280.98	Calculated Property
η	0.0004300	Pa×s	307.55	Calculated Property
η	0.0003257	Pa×s	334.11	Calculated Property
η	0.0002570	Pa×s	360.68	Calculated Property
η	0.0002095	Pa×s	387.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[278.15; 406.71]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39091e+01
Coefficient B			-2.99688e+03
Coefficient C			-5.81340e+01
Temperature range, min.			278.15
Temperature range, max.			406.71
Pvap	1.33	kPa	278.15	Calculated Property
Pvap	3.06	kPa	292.43	Calculated Property
Pvap	6.38	kPa	306.72	Calculated Property
Pvap	12.29	kPa	321.00	Calculated Property
Pvap	22.11	kPa	335.29	Calculated Property
Pvap	37.56	kPa	349.57	Calculated Property
Pvap	60.73	kPa	363.86	Calculated Property
Pvap	94.07	kPa	378.14	Calculated Property
Pvap	140.36	kPa	392.43	Calculated Property
Pvap	202.67	kPa	406.71	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentene, 3-ethyl-4-methyl-.

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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