Chemical Properties of 2,2,3-trimethylhexan-3-ol (CAS 5340-41-0)

InChI

InChI=1S/C9H20O/c1-6-7-9(5,10)8(2,3)4/h10H,6-7H2,1-5H3

InChI Key

DHNHHYWBZNQHGN-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCC(C)(O)C(C)(C)C

Molecular Weight¹

144.25

CAS

5340-41-0

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.99; 505.25]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.89480e+01
Coefficient B			1.14450e+00
Coefficient C			-8.39800e-04
Coefficient D			2.49500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.99	J/mol×K	273.00	Calculated Property
Cp,gas	261.89	J/mol×K	353.78	Calculated Property
Cp,gas	310.29	J/mol×K	434.56	Calculated Property
Cp,gas	351.97	J/mol×K	515.33	Calculated Property
Cp,gas	387.73	J/mol×K	596.11	Calculated Property
Cp,gas	418.35	J/mol×K	676.89	Calculated Property
Cp,gas	444.63	J/mol×K	757.67	Calculated Property
Cp,gas	467.34	J/mol×K	838.44	Calculated Property
Cp,gas	487.29	J/mol×K	919.22	Calculated Property
Cp,gas	505.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0749843; 0.0002052]	Pa×s	[256.85; 468.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.56664e+01
Coefficient B			3.35855e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			256.85
Temperature range, max.			468.10
η	0.0749843	Pa×s	256.85	Calculated Property
η	0.0250885	Pa×s	280.32	Calculated Property
η	0.0099416	Pa×s	303.79	Calculated Property
η	0.0044989	Pa×s	327.27	Calculated Property
η	0.0022638	Pa×s	350.74	Calculated Property
η	0.0012416	Pa×s	374.21	Calculated Property
η	0.0007310	Pa×s	397.68	Calculated Property
η	0.0004566	Pa×s	421.15	Calculated Property
η	0.0002997	Pa×s	444.62	Calculated Property
η	0.0002052	Pa×s	468.10	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3-trimethylhexan-3-ol.

Sources

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

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