Chemical Properties of Hexanal, 3,3-dimethyl- (CAS 55320-57-5)

InChI

InChI=1S/C8H16O/c1-4-5-8(2,3)6-7-9/h7H,4-6H2,1-3H3

InChI Key

IHEORNQYISDNQZ-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CCCC(C)(C)CC=O

Molecular Weight¹

128.21

CAS

55320-57-5

Other Names

• 3,3-Dimethyl-hexanal

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.64; 424.30]	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			-1.74570e+01
Coefficient B			8.64160e-01
Coefficient C			-5.76200e-04
Coefficient D			1.53800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.64	J/mol×K	273.00	Calculated Property
Cp,gas	222.96	J/mol×K	353.78	Calculated Property
Cp,gas	261.88	J/mol×K	434.56	Calculated Property
Cp,gas	295.90	J/mol×K	515.33	Calculated Property
Cp,gas	325.51	J/mol×K	596.11	Calculated Property
Cp,gas	351.18	J/mol×K	676.89	Calculated Property
Cp,gas	373.41	J/mol×K	757.67	Calculated Property
Cp,gas	392.68	J/mol×K	838.44	Calculated Property
Cp,gas	409.49	J/mol×K	919.22	Calculated Property
Cp,gas	424.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079397; 0.0003349]	Pa×s	[224.34; 426.88]	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			-1.15083e+01
Coefficient B			1.49689e+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.			224.34
Temperature range, max.			426.88
η	0.0079397	Pa×s	224.34	Calculated Property
η	0.0043214	Pa×s	246.84	Calculated Property
η	0.0026036	Pa×s	269.35	Calculated Property
η	0.0016962	Pa×s	291.85	Calculated Property
η	0.0011749	Pa×s	314.36	Calculated Property
η	0.0008548	Pa×s	336.86	Calculated Property
η	0.0006472	Pa×s	359.37	Calculated Property
η	0.0005063	Pa×s	381.87	Calculated Property
η	0.0004071	Pa×s	404.37	Calculated Property
η	0.0003349	Pa×s	426.88	Calculated Property

Similar Compounds

Find more compounds similar to Hexanal, 3,3-dimethyl-.

Sources

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

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