Chemical Properties of 3-Ethyl-3-hexene (CAS 16789-51-8)

InChI

InChI=1S/C8H16/c1-4-7-8(5-2)6-3/h7H,4-6H2,1-3H3

InChI Key

AUJLDZJNMXNESO-UHFFFAOYSA-N

Formula

C8H16

SMILES

CCC=C(CC)CC

Molecular Weight¹

112.21

CAS

16789-51-8

Other Names

• (C2H5)2C=CHC2H5
• 3-Ethylhex-3-ene
• 3-Hexene, 3-ethyl

• 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).
• 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
ΔfG°	88.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.02	kJ/mol	Joback Calculated Property
ΔfusH°	15.37	kJ/mol	Joback Calculated Property
ΔvapH°	39.30	kJ/mol	NIST
IE	8.48 ± 0.00	eV	NIST
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[772.00; 786.00]
Inp	785.90		NIST
Inp	772.00		NIST
Inp	773.00		NIST
Inp	785.00		NIST
Inp	786.00		NIST
Inp	785.90		NIST
Tboil	386.48	K	Joback Calculated Property
Tc	561.75	K	Joback Calculated Property
Tfus	160.88	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.03; 288.64]	J/mol×K	[386.48; 561.75]
Cp,gas	218.03	J/mol×K	386.48	Joback Calculated Property
Cp,gas	231.15	J/mol×K	415.69	Joback Calculated Property
Cp,gas	243.70	J/mol×K	444.90	Joback Calculated Property
Cp,gas	255.70	J/mol×K	474.11	Joback Calculated Property
Cp,gas	267.18	J/mol×K	503.32	Joback Calculated Property
Cp,gas	278.15	J/mol×K	532.54	Joback Calculated Property
Cp,gas	288.64	J/mol×K	561.75	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[283.64; 421.28]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38196e+01
Coefficient B			-3.15446e+03
Coefficient C			-5.05240e+01
Temperature range, min.			283.64
Temperature range, max.			421.28
Pvap	1.33	kPa	283.64	Calculated Property
Pvap	3.07	kPa	298.93	Calculated Property
Pvap	6.41	kPa	314.23	Calculated Property
Pvap	12.34	kPa	329.52	Calculated Property
Pvap	22.21	kPa	344.81	Calculated Property
Pvap	37.72	kPa	360.11	Calculated Property
Pvap	60.94	kPa	375.40	Calculated Property
Pvap	94.29	kPa	390.69	Calculated Property
Pvap	140.52	kPa	405.99	Calculated Property
Pvap	202.63	kPa	421.28	Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethyl-3-hexene.

Sources

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

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