Chemical Properties of 1,4-Cyclohexanediol, cis- (CAS 931-71-5)

InChI

InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6+

InChI Key

VKONPUDBRVKQLM-OLQVQODUSA-N

Formula

C6H12O2

SMILES

OC1CCC(O)CC1

Molecular Weight¹

116.16

CAS

931-71-5

Other Names

• cis-1,4-Cyclohexanediol
• 1,4-Cyclohexanediol, (Z)-
• cis-1,4-Dihydroxycyclohexane
• cis-cyclohexane-1,4-diol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.91; 357.95]	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			-5.16500e+01
Coefficient B			7.37400e-01
Coefficient C			-3.89000e-04
Coefficient D			6.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.91	J/mol×K	273.00	Calculated Property
Cp,gas	163.25	J/mol×K	353.78	Calculated Property
Cp,gas	200.36	J/mol×K	434.56	Calculated Property
Cp,gas	233.43	J/mol×K	515.33	Calculated Property
Cp,gas	262.66	J/mol×K	596.11	Calculated Property
Cp,gas	288.24	J/mol×K	676.89	Calculated Property
Cp,gas	310.36	J/mol×K	757.67	Calculated Property
Cp,gas	329.23	J/mol×K	838.44	Calculated Property
Cp,gas	345.03	J/mol×K	919.22	Calculated Property
Cp,gas	357.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022903; 0.0001307]	Pa×s	[375.15; 504.44]	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			-1.72510e+01
Coefficient B			4.19116e+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.			375.15
Temperature range, max.			504.44
η	0.0022903	Pa×s	375.15	Calculated Property
η	0.0015169	Pa×s	389.52	Calculated Property
η	0.0010345	Pa×s	403.88	Calculated Property
η	0.0007243	Pa×s	418.25	Calculated Property
η	0.0005193	Pa×s	432.61	Calculated Property
η	0.0003804	Pa×s	446.98	Calculated Property
η	0.0002841	Pa×s	461.34	Calculated Property
η	0.0002159	Pa×s	475.71	Calculated Property
η	0.0001668	Pa×s	490.08	Calculated Property
η	0.0001307	Pa×s	504.44	Calculated Property

Similar Compounds

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

Sources

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

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