Chemical Properties of Hexane, 3,3-diethyl- (CAS 17302-02-2)

InChI

InChI=1S/C10H22/c1-5-9-10(6-2,7-3)8-4/h5-9H2,1-4H3

InChI Key

WWNGLKDLYKNGGT-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCC(CC)(CC)CC

Molecular Weight¹

142.28

CAS

17302-02-2

Other Names

• 3,3-Diethylhexane

• 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).
• 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
ω	0.3693		Relay (1.0) Calculated Property
ΔfG°	36.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-234.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.24	kJ/mol	Joback Calculated Property
ΔvapH°	47.30	kJ/mol	NIST
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[954.00; 957.20]
Inp	954.00		NIST
Inp	954.10		NIST
Inp	957.20		NIST
Inp	954.00		NIST
Inp	954.00		NIST
Tboil	[435.85; 439.40]	K
Tboil	435.85 ± 0.50	K	NIST
Tboil	439.40 ± 0.30	K	NIST
Tc	618.04	K	Relay (1.0) Calculated Property
Tfus	192.31	K	Relay (1.0) Calculated Property
Vc	0.524	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy 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	[317.09; 405.84]	J/mol×K	[425.17; 597.78]
Cp,gas	317.09	J/mol×K	425.17	Joback Calculated Property
Cp,gas	333.65	J/mol×K	453.94	Joback Calculated Property
Cp,gas	349.47	J/mol×K	482.71	Joback Calculated Property
Cp,gas	364.57	J/mol×K	511.48	Joback Calculated Property
Cp,gas	378.98	J/mol×K	540.24	Joback Calculated Property
Cp,gas	392.73	J/mol×K	569.01	Joback Calculated Property
Cp,gas	405.84	J/mol×K	597.78	Joback Calculated Property
η	[0.0002491; 0.0108562]	Pa×s	[204.88; 425.17]
η	0.0108562	Pa×s	204.88	Joback Calculated Property
η	0.0035881	Pa×s	241.59	Joback Calculated Property
η	0.0015882	Pa×s	278.31	Joback Calculated Property
η	0.0008501	Pa×s	315.02	Joback Calculated Property
η	0.0005184	Pa×s	351.74	Joback Calculated Property
η	0.0003471	Pa×s	388.45	Joback Calculated Property
η	0.0002491	Pa×s	425.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3,3-diethyl-.

Sources

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

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