Chemical Properties of 1-Hexene, 3,5,5-trimethyl- (CAS 4316-65-8)

InChI

InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3

InChI Key

JTXUVHFRSRTSAT-UHFFFAOYSA-N

Formula

C9H18

SMILES

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

Molecular Weight¹

126.24

CAS

4316-65-8

Other Names

• 3,5,5-Trimethyl-1-hexene
• 3,5,5-Trimethylhexene-1

• 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).
• 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°	113.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-117.69	kJ/mol	Joback Calculated Property
ΔfusH°	6.85	kJ/mol	Joback Calculated Property
ΔvapH°	33.27	kJ/mol	Joback Calculated Property
log10WS	-2.96		Crippen Calculated Property
logPoct/wat	3.245		Crippen Calculated Property
McVol	133.370	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Inp	[763.00; 795.00]
Inp	765.00		NIST
Inp	768.00		NIST
Inp	770.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	768.00		NIST
Inp	769.00		NIST
Inp	770.00		NIST
Inp	766.50		NIST
Inp	767.60		NIST
Inp	768.70		NIST
Inp	770.00		NIST
Inp	771.20		NIST
Inp	772.70		NIST
Inp	766.00		NIST
Inp	767.40		NIST
Inp	768.80		NIST
Inp	767.90		NIST
Inp	771.90		NIST
Inp	773.80		NIST
Inp	765.30		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	767.90		NIST
Inp	768.80		NIST
Inp	769.80		NIST
Inp	Outlier 795.00		NIST
Inp	764.00		NIST
Inp	768.00		NIST
Inp	763.00		NIST
Inp	767.00		NIST
Tboil	392.60 ± 5.00	K	NIST
Tc	579.58	K	Joback Calculated Property
Tfus	176.85	K	Joback Calculated Property
Vc	0.503	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.54; 341.10]	J/mol×K	[398.33; 579.58]
Cp,gas	258.54	J/mol×K	398.33	Joback Calculated Property
Cp,gas	274.14	J/mol×K	428.54	Joback Calculated Property
Cp,gas	288.97	J/mol×K	458.75	Joback Calculated Property
Cp,gas	303.05	J/mol×K	488.95	Joback Calculated Property
Cp,gas	316.41	J/mol×K	519.16	Joback Calculated Property
Cp,gas	329.08	J/mol×K	549.37	Joback Calculated Property
Cp,gas	341.10	J/mol×K	579.58	Joback Calculated Property
η	[0.0002526; 0.0188168]	Pa×s	[176.85; 398.33]
η	0.0188168	Pa×s	176.85	Joback Calculated Property
η	0.0049331	Pa×s	213.76	Joback Calculated Property
η	0.0019184	Pa×s	250.68	Joback Calculated Property
η	0.0009507	Pa×s	287.59	Joback Calculated Property
η	0.0005527	Pa×s	324.50	Joback Calculated Property
η	0.0003590	Pa×s	361.42	Joback Calculated Property
η	0.0002526	Pa×s	398.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexene, 3,5,5-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.