Chemical Properties of 4-Octanone, 5-hydroxy-2,7-dimethyl- (CAS 6838-51-3)

InChI

InChI=1S/C10H20O2/c1-7(2)5-9(11)10(12)6-8(3)4/h7-9,11H,5-6H2,1-4H3

InChI Key

NVLCZXVVPKJWST-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

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

Molecular Weight¹

172.26

CAS

6838-51-3

Other Names

• 5-Hydroxy 2,7-dimethyl 4-octanone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.10; 544.54]	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			1.40200e+00
Coefficient B			9.77580e-01
Coefficient C			-5.41500e-04
Coefficient D			1.07060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.10	J/mol×K	273.00	Calculated Property
Cp,gas	284.22	J/mol×K	353.78	Calculated Property
Cp,gas	332.74	J/mol×K	434.56	Calculated Property
Cp,gas	376.03	J/mol×K	515.33	Calculated Property
Cp,gas	414.41	J/mol×K	596.11	Calculated Property
Cp,gas	448.21	J/mol×K	676.89	Calculated Property
Cp,gas	477.79	J/mol×K	757.67	Calculated Property
Cp,gas	503.48	J/mol×K	838.44	Calculated Property
Cp,gas	525.62	J/mol×K	919.22	Calculated Property
Cp,gas	544.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0637662; 0.0001480]	Pa×s	[268.21; 524.24]	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			-1.51729e+01
Coefficient B			3.33128e+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.			268.21
Temperature range, max.			524.24
η	0.0637662	Pa×s	268.21	Calculated Property
η	0.0193785	Pa×s	296.66	Calculated Property
η	0.0072540	Pa×s	325.11	Calculated Property
η	0.0031806	Pa×s	353.55	Calculated Property
η	0.0015768	Pa×s	382.00	Calculated Property
η	0.0008615	Pa×s	410.45	Calculated Property
η	0.0005091	Pa×s	438.90	Calculated Property
η	0.0003207	Pa×s	467.35	Calculated Property
η	0.0002131	Pa×s	495.79	Calculated Property
η	0.0001480	Pa×s	524.24	Calculated Property

Similar Compounds

Find more compounds similar to 4-Octanone, 5-hydroxy-2,7-dimethyl-.

Sources

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

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