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-METHYL-1-PENTENE
• 3-Ethyl-4-methylpent-1-ene
• 4-METHYL-3-ETHYL-1-PENTENE

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• 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
ΔfG°	99.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.58	kJ/mol	Joback Calculated Property
ΔfusH°	8.15	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
log10WS	-2.54		Crippen 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	552.91	K	Joback Calculated Property
Tfus	148.16	K	Joback Calculated Property
Vc	0.453	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.47; 289.32]	J/mol×K	[378.24; 552.91]
Cp,gas	217.47	J/mol×K	378.24	Joback Calculated Property
Cp,gas	230.74	J/mol×K	407.35	Joback Calculated Property
Cp,gas	243.47	J/mol×K	436.46	Joback Calculated Property
Cp,gas	255.68	J/mol×K	465.57	Joback Calculated Property
Cp,gas	267.38	J/mol×K	494.69	Joback Calculated Property
Cp,gas	278.59	J/mol×K	523.80	Joback Calculated Property
Cp,gas	289.32	J/mol×K	552.91	Joback Calculated Property
η	[0.0002238; 0.0184203]	Pa×s	[148.16; 378.24]
η	0.0184203	Pa×s	148.16	Joback Calculated Property
η	0.0041486	Pa×s	186.51	Joback Calculated Property
η	0.0015535	Pa×s	224.85	Joback Calculated Property
η	0.0007745	Pa×s	263.20	Joback Calculated Property
η	0.0004609	Pa×s	301.55	Joback Calculated Property
η	0.0003084	Pa×s	339.89	Joback Calculated Property
η	0.0002238	Pa×s	378.24	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[278.15; 406.71]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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