Chemical Properties of 3-Hexene, 2,2-dimethyl- (CAS 3123-93-1)

InChI

InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+

InChI Key

JPLZSSHKQZJYTJ-VOTSOKGWSA-N

Formula

C8H16

SMILES

CCC=CC(C)(C)C

Molecular Weight¹

112.21

CAS

3123-93-1

Other Names

• 2,2-Dimethyl-3-hexene
• 5,5-Dimethyl-3-hexene
• 2,2-dimethylhex-3-ene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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	0.2493		Relay (1.0) Calculated Property
ΔfG°	99.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.26	kJ/mol	Joback Calculated Property
ΔvapH°	36.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2726.86	kPa	Joback Calculated Property
Tboil	[372.65; 373.25]	K
Tboil	372.65 ± 2.00	K	NIST
Tboil	373.25 ± 0.50	K	NIST
Tc	536.41	K	Relay (1.0) Calculated Property
Tfus	157.29	K	Relay (1.0) Calculated Property
Vc	0.441	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.23; 295.40]	J/mol×K	[383.57; 567.07]
Cp,gas	219.23	J/mol×K	383.57	Joback Calculated Property
Cp,gas	233.74	J/mol×K	414.15	Joback Calculated Property
Cp,gas	247.49	J/mol×K	444.74	Joback Calculated Property
Cp,gas	260.49	J/mol×K	475.32	Joback Calculated Property
Cp,gas	272.78	J/mol×K	505.90	Joback Calculated Property
Cp,gas	284.41	J/mol×K	536.49	Joback Calculated Property
Cp,gas	295.40	J/mol×K	567.07	Joback Calculated Property
η	[0.0002259; 0.0110015]	Pa×s	[177.26; 383.57]
η	0.0110015	Pa×s	177.26	Joback Calculated Property
η	0.0034021	Pa×s	211.64	Joback Calculated Property
η	0.0014606	Pa×s	246.03	Joback Calculated Property
η	0.0007715	Pa×s	280.41	Joback Calculated Property
η	0.0004685	Pa×s	314.80	Joback Calculated Property
η	0.0003139	Pa×s	349.18	Joback Calculated Property
η	0.0002259	Pa×s	383.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexene, 2,2-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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