Chemical Properties of 3-Hexene, 2,2,5,5-tetramethyl-, (Z)- (CAS 692-47-7)

InChI

InChI=1S/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3/b8-7-

InChI Key

UYWLQEPMPVDASH-FPLPWBNLSA-N

Formula

C10H20

SMILES

CC(C)(C)C=CC(C)(C)C

Molecular Weight¹

140.27

CAS

692-47-7

Other Names

• (Z)-2,2,5,5-Tetramethyl-3-hexene
• cis-Di-tert-butylethylene
• cis-1,2-Di-tert-butylethylene
• cis-2,2,5,5-Tetramethyl-3-hexene
• (Z)-(t-C4H9)CH=CH(t-C4H9)
• (Z)-1,2-Di-tert-butylethylene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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	0.3036		Relay (1.0) Calculated Property
ΔcH°liquid	-6629.80 ± 1.70	kJ/mol	NIST
ΔfG°	119.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.00	kJ/mol	NIST
ΔfusH°	7.03	kJ/mol	Joback Calculated Property
ΔvapH°	42.35	kJ/mol	Relay (1.0) Calculated Property
IE	[8.68; 8.95]	eV
IE	8.70 ± 0.01	eV	NIST
IE	8.68 ± 0.02	eV	NIST
IE	8.95	eV	NIST
logPoct/wat	3.635		Crippen Calculated Property
McVol	147.460	ml/mol	McGowan Calculated Property
Pc	2293.71	kPa	Joback Calculated Property
Tboil	[416.00; 417.00]	K
Tboil	416.00 ± 1.50	K	NIST
Tboil	416.00 ± 3.00	K	NIST
Tboil	417.00 ± 4.00	K	NIST
Tc	576.67	K	Relay (1.0) Calculated Property
Tfus	271.97	K	Relay (1.0) Calculated Property
Vc	0.558	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	[303.95; 397.18]	J/mol×K	[426.10; 619.20]
Cp,gas	303.95	J/mol×K	426.10	Joback Calculated Property
Cp,gas	322.07	J/mol×K	458.28	Joback Calculated Property
Cp,gas	339.07	J/mol×K	490.47	Joback Calculated Property
Cp,gas	355.03	J/mol×K	522.65	Joback Calculated Property
Cp,gas	369.99	J/mol×K	554.84	Joback Calculated Property
Cp,gas	384.02	J/mol×K	587.02	Joback Calculated Property
Cp,gas	397.18	J/mol×K	619.20	Joback Calculated Property
η	[0.0002180; 0.0185097]	Pa×s	[202.22; 426.10]
η	0.0185097	Pa×s	202.22	Joback Calculated Property
η	0.0049606	Pa×s	239.53	Joback Calculated Property
η	0.0018959	Pa×s	276.85	Joback Calculated Property
η	0.0009106	Pa×s	314.16	Joback Calculated Property
η	0.0005111	Pa×s	351.47	Joback Calculated Property
η	0.0003205	Pa×s	388.79	Joback Calculated Property
η	0.0002180	Pa×s	426.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexene, 2,2,5,5-tetramethyl-, (Z)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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