Chemical Properties of 2,4,4-Trimethyl-2,3-pentanediol

InChI

InChI=1S/C8H18O2/c1-7(2,3)6(9)8(4,5)10/h6,9-10H,1-5H3

InChI Key

JDYWKAYETKZYIF-UHFFFAOYSA-N

Formula

C8H18O2

SMILES

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

Molecular Weight¹

146.23

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[196.96; 472.87]	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			-4.44300e+01
Coefficient B			1.08940e+00
Coefficient C			-8.19000e-04
Coefficient D			2.46900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.96	J/mol×K	273.00	Calculated Property
Cp,gas	249.40	J/mol×K	353.78	Calculated Property
Cp,gas	294.58	J/mol×K	434.56	Calculated Property
Cp,gas	333.26	J/mol×K	515.33	Calculated Property
Cp,gas	366.24	J/mol×K	596.11	Calculated Property
Cp,gas	394.30	J/mol×K	676.89	Calculated Property
Cp,gas	418.21	J/mol×K	757.67	Calculated Property
Cp,gas	438.75	J/mol×K	838.44	Calculated Property
Cp,gas	456.71	J/mol×K	919.22	Calculated Property
Cp,gas	472.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1508509; 0.0000857]	Pa×s	[291.40; 514.49]	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			-1.91248e+01
Coefficient B			5.02180e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.40
Temperature range, max.			514.49
η	0.1508509	Pa×s	291.40	Calculated Property
η	0.0390659	Pa×s	316.19	Calculated Property
η	0.0123128	Pa×s	340.98	Calculated Property
η	0.0045382	Pa×s	365.76	Calculated Property
η	0.0018986	Pa×s	390.55	Calculated Property
η	0.0008814	Pa×s	415.34	Calculated Property
η	0.0004461	Pa×s	440.13	Calculated Property
η	0.0002428	Pa×s	464.92	Calculated Property
η	0.0001405	Pa×s	489.71	Calculated Property
η	0.0000857	Pa×s	514.49	Calculated Property

Similar Compounds

Find more compounds similar to 2,4,4-Trimethyl-2,3-pentanediol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.