Chemical Properties of 1,3-Cyclohexanedimethanol, 2-hydroxy-5-methyl- (CAS 90677-23-9)

InChI

InChI=1S/C9H18O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h6-12H,2-5H2,1H3

InChI Key

VGNOCVYYJJSUEN-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

CC1CC(CO)C(O)C(CO)C1

Molecular Weight¹

174.24

CAS

90677-23-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[202.59; 544.71]	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			-3.72080e+01
Coefficient B			1.00342e+00
Coefficient C			-4.71800e-04
Coefficient D			5.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.59	J/mol×K	273.00	Calculated Property
Cp,gas	260.96	J/mol×K	353.78	Calculated Property
Cp,gas	313.87	J/mol×K	434.56	Calculated Property
Cp,gas	361.48	J/mol×K	515.33	Calculated Property
Cp,gas	403.94	J/mol×K	596.11	Calculated Property
Cp,gas	441.43	J/mol×K	676.89	Calculated Property
Cp,gas	474.09	J/mol×K	757.67	Calculated Property
Cp,gas	502.08	J/mol×K	838.44	Calculated Property
Cp,gas	525.57	J/mol×K	919.22	Calculated Property
Cp,gas	544.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0116633; 0.0000280]	Pa×s	[368.31; 603.65]	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			-1.99216e+01
Coefficient B			5.69785e+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.			368.31
Temperature range, max.			603.65
η	0.0116633	Pa×s	368.31	Calculated Property
η	0.0041825	Pa×s	394.46	Calculated Property
η	0.0017038	Pa×s	420.61	Calculated Property
η	0.0007710	Pa×s	446.76	Calculated Property
η	0.0003809	Pa×s	472.91	Calculated Property
η	0.0002026	Pa×s	499.06	Calculated Property
η	0.0001147	Pa×s	525.21	Calculated Property
η	0.0000686	Pa×s	551.35	Calculated Property
η	0.0000430	Pa×s	577.50	Calculated Property
η	0.0000280	Pa×s	603.65	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexanedimethanol, 2-hydroxy-5-methyl-.

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

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