Chemical Properties of 2,7-Dimethyl-2,7-octanediol (CAS 19781-07-8)

InChI

InChI=1S/C10H22O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,5-8H2,1-4H3

InChI Key

LZMSJLJRUYKOQD-UHFFFAOYSA-N

Formula

C10H22O2

SMILES

CC(C)(O)CCCCC(C)(C)O

Molecular Weight¹

174.28

CAS

19781-07-8

Other Names

• 2,7-Octanediol, 2,7-dimethyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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, Acentric Factor 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	[239.70; 575.51]	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			-4.45660e+01
Coefficient B			1.27348e+00
Coefficient C			-9.24600e-04
Coefficient D			2.71200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.70	J/mol×K	273.00	Calculated Property
Cp,gas	302.25	J/mol×K	353.78	Calculated Property
Cp,gas	356.49	J/mol×K	434.56	Calculated Property
Cp,gas	403.27	J/mol×K	515.33	Calculated Property
Cp,gas	443.46	J/mol×K	596.11	Calculated Property
Cp,gas	477.92	J/mol×K	676.89	Calculated Property
Cp,gas	507.49	J/mol×K	757.67	Calculated Property
Cp,gas	533.04	J/mol×K	838.44	Calculated Property
Cp,gas	555.43	J/mol×K	919.22	Calculated Property
Cp,gas	575.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0305262; 0.0000617]	Pa×s	[328.94; 543.33]	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			-1.92133e+01
Coefficient B			5.17230e+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.			328.94
Temperature range, max.			543.33
η	0.0305262	Pa×s	328.94	Calculated Property
η	0.0105567	Pa×s	352.76	Calculated Property
η	0.0041756	Pa×s	376.58	Calculated Property
η	0.0018444	Pa×s	400.40	Calculated Property
η	0.0008929	Pa×s	424.23	Calculated Property
η	0.0004670	Pa×s	448.05	Calculated Property
η	0.0002607	Pa×s	471.87	Calculated Property
η	0.0001540	Pa×s	495.69	Calculated Property
η	0.0000954	Pa×s	519.51	Calculated Property
η	0.0000617	Pa×s	543.33	Calculated Property

Similar Compounds

Find more compounds similar to 2,7-Dimethyl-2,7-octanediol.

Sources

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

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