Chemical Properties of 1,4-Cyclohexanedimethanol, cis- (CAS 3236-47-3)

InChI

InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2/t7-,8+

InChI Key

YIMQCDZDWXUDCA-OCAPTIKFSA-N

Formula

C8H16O2

SMILES

OCC1CCC(CO)CC1

Molecular Weight¹

144.21

CAS

3236-47-3

Other Names

• CHDM, cis
• PM 1597
• cis-1,4-bis(hydroxymethyl)cyclohexane
• cis-1,4-cyclohexanedimethanol
• cis-CHDM

• 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).
• 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, 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	[164.34; 461.13]	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			-5.34680e+01
Coefficient B			9.27400e-01
Coefficient C			-4.97800e-04
Coefficient D			8.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.34	J/mol×K	273.00	Calculated Property
Cp,gas	216.09	J/mol×K	353.78	Calculated Property
Cp,gas	262.51	J/mol×K	434.56	Calculated Property
Cp,gas	303.88	J/mol×K	515.33	Calculated Property
Cp,gas	340.48	J/mol×K	596.11	Calculated Property
Cp,gas	372.56	J/mol×K	676.89	Calculated Property
Cp,gas	400.40	J/mol×K	757.67	Calculated Property
Cp,gas	424.26	J/mol×K	838.44	Calculated Property
Cp,gas	444.41	J/mol×K	919.22	Calculated Property
Cp,gas	461.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0469058; 0.0000981]	Pa×s	[304.70; 533.88]	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			-1.74327e+01
Coefficient B			4.37948e+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.			304.70
Temperature range, max.			533.88
η	0.0469058	Pa×s	304.70	Calculated Property
η	0.0154807	Pa×s	330.16	Calculated Property
η	0.0059883	Pa×s	355.63	Calculated Property
η	0.0026299	Pa×s	381.09	Calculated Property
η	0.0012804	Pa×s	406.56	Calculated Property
η	0.0006786	Pa×s	432.02	Calculated Property
η	0.0003860	Pa×s	457.49	Calculated Property
η	0.0002330	Pa×s	482.95	Calculated Property
η	0.0001479	Pa×s	508.42	Calculated Property
η	0.0000981	Pa×s	533.88	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclohexanedimethanol, cis-.

Mixtures

• 1,4-Cyclohexanedimethanol, trans- + 1,4-Cyclohexanedimethanol, cis-

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
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Joback Method
• McGowan Method
• NIST Webbook

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