Chemical Properties of Dicyclohexylcarbinol, formate

InChI

InChI=1S/C14H24O2/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-14H,1-10H2

InChI Key

UFZVWVJBGNATRO-UHFFFAOYSA-N

Formula

C14H24O2

SMILES

O=COC(C1CCCCC1)C1CCCCC1

Molecular Weight¹

224.34

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[236.74; 704.27]	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			-1.37730e+02
Coefficient B			1.63220e+00
Coefficient C			-1.01580e-03
Coefficient D			2.25600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.74	J/mol×K	273.00	Calculated Property
Cp,gas	322.56	J/mol×K	353.78	Calculated Property
Cp,gas	398.24	J/mol×K	434.56	Calculated Property
Cp,gas	464.51	J/mol×K	515.33	Calculated Property
Cp,gas	522.07	J/mol×K	596.11	Calculated Property
Cp,gas	571.64	J/mol×K	676.89	Calculated Property
Cp,gas	613.93	J/mol×K	757.67	Calculated Property
Cp,gas	649.66	J/mol×K	838.44	Calculated Property
Cp,gas	679.53	J/mol×K	919.22	Calculated Property
Cp,gas	704.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0067514; 0.0003668]	Pa×s	[306.00; 590.29]	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			-1.10458e+01
Coefficient B			1.85063e+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.			306.00
Temperature range, max.			590.29
η	0.0067514	Pa×s	306.00	Calculated Property
η	0.0038338	Pa×s	337.59	Calculated Property
η	0.0023984	Pa×s	369.18	Calculated Property
η	0.0016156	Pa×s	400.76	Calculated Property
η	0.0011529	Pa×s	432.35	Calculated Property
η	0.0008615	Pa×s	463.94	Calculated Property
η	0.0006680	Pa×s	495.53	Calculated Property
η	0.0005341	Pa×s	527.12	Calculated Property
η	0.0004379	Pa×s	558.70	Calculated Property
η	0.0003668	Pa×s	590.29	Calculated Property

Similar Compounds

Find more compounds similar to Dicyclohexylcarbinol, formate.

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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