Chemical Properties of 2-Pentene, 3-ethyl- (CAS 816-79-5)

InChI

InChI=1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3

InChI Key

XMYFZAWUNVHVGI-UHFFFAOYSA-N

Formula

C7H14

SMILES

CC=C(CC)CC

Molecular Weight¹

98.19

CAS

816-79-5

Other Names

• 3-Ethyl-2-pentene
• 3-Ethylpent-2-ene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• 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	0.2518		Relay (1.0) Calculated Property
ΔfG°	79.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-94.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.78	kJ/mol	Joback Calculated Property
ΔvapH°	35.60	kJ/mol	NIST
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-3.41		Relay (1.0) Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[694.00; 709.00]
Inp	706.20		NIST
Inp	696.30		NIST
Inp	696.00		NIST
Inp	706.00		NIST
Inp	706.00		NIST
Inp	697.20		NIST
Inp	697.00		NIST
Inp	700.00		NIST
Inp	697.00		NIST
Inp	698.00		NIST
Inp	700.00		NIST
Inp	697.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	699.00		NIST
Inp	706.00		NIST
Inp	707.60		NIST
Inp	696.50		NIST
Inp	697.00		NIST
Inp	697.00		NIST
Inp	706.00		NIST
Inp	706.00		NIST
Inp	707.00		NIST
Inp	707.00		NIST
Inp	706.00		NIST
Inp	706.00		NIST
Inp	707.00		NIST
Inp	709.00		NIST
Inp	709.00		NIST
Inp	694.00		NIST
Inp	706.00		NIST
Inp	696.50		NIST
Tboil	[368.00; 371.15]	K
Tboil	368.55	K	KDB
Tboil	369.20	K	NIST
Tboil	369.35 ± 1.00	K	NIST
Tboil	368.00 ± 2.00	K	NIST
Tboil	369.65 ± 1.00	K	NIST
Tboil	368.55 ± 0.20	K	NIST
Tboil	369.11 ± 0.20	K	NIST
Tboil	369.16 ± 0.20	K	NIST
Tboil	369.20 ± 0.20	K	NIST
Tboil	369.21 ± 0.30	K	NIST
Tboil	368.15 ± 1.00	K	NIST
Tboil	368.20 ± 0.50	K	NIST
Tboil	369.21 ± 0.30	K	NIST
Tboil	370.05 ± 0.40	K	NIST
Tboil	368.00 ± 0.50	K	NIST
Tboil	369.10 ± 0.60	K	NIST
Tboil	369.65 ± 3.00	K	NIST
Tboil	369.15 ± 3.00	K	NIST
Tboil	368.40 ± 0.50	K	NIST
Tboil	369.25 ± 1.00	K	NIST
Tboil	369.65 ± 1.00	K	NIST
Tboil	368.15 ± 1.00	K	NIST
Tboil	368.31 ± 0.30	K	NIST
Tboil	368.28 ± 0.30	K	NIST
Tboil	368.23 ± 0.30	K	NIST
Tboil	369.65 ± 3.00	K	NIST
Tboil	Outlier 371.15 ± 3.00	K	NIST
Tboil	368.00 ± 0.60	K	NIST
Tboil	368.55 ± 0.60	K	NIST
Tboil	Outlier 370.90 ± 1.00	K	NIST
Tboil	369.15 ± 2.00	K	NIST
Tboil	368.65 ± 1.00	K	NIST
Tboil	370.65 ± 2.00	K	NIST
Tboil	370.65 ± 2.00	K	NIST
Tboil	370.65 ± 2.00	K	NIST
Tc	530.46	K	Relay (1.0) Calculated Property
Tfus	154.64	K	Relay (1.0) Calculated Property
Vc	0.381	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.34; 244.29]	J/mol×K	[363.60; 539.41]
Cp,gas	180.34	J/mol×K	363.60	Joback Calculated Property
Cp,gas	192.22	J/mol×K	392.90	Joback Calculated Property
Cp,gas	203.59	J/mol×K	422.20	Joback Calculated Property
Cp,gas	214.47	J/mol×K	451.50	Joback Calculated Property
Cp,gas	224.86	J/mol×K	480.80	Joback Calculated Property
Cp,gas	234.79	J/mol×K	510.11	Joback Calculated Property
Cp,gas	244.29	J/mol×K	539.41	Joback Calculated Property
ΔvapH	34.10	kJ/mol	358.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[268.01; 394.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41129e+01
Coefficient B			-3.06574e+03
Coefficient C			-4.62670e+01
Temperature range, min.			268.01
Temperature range, max.			394.59
Pvap	1.33	kPa	268.01	Calculated Property
Pvap	3.04	kPa	282.07	Calculated Property
Pvap	6.32	kPa	296.14	Calculated Property
Pvap	12.15	kPa	310.20	Calculated Property
Pvap	21.87	kPa	324.27	Calculated Property
Pvap	37.19	kPa	338.33	Calculated Property
Pvap	60.25	kPa	352.40	Calculated Property
Pvap	93.53	kPa	366.46	Calculated Property
Pvap	139.93	kPa	380.53	Calculated Property
Pvap	202.66	kPa	394.59	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 3-ethyl-.

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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