Chemical Properties of 3-(2-Cyclohexylphenoxy)-1,2-propanediol

InChI

InChI=1S/C15H22O3/c16-10-13(17)11-18-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h4-5,8-9,12-13,16-17H,1-3,6-7,10-11H2

InChI Key

GEGQXICLYBLOQI-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

OCC(O)COc1ccccc1C1CCCCC1

Molecular Weight¹

250.34

• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[270.96; 713.08]	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			-6.15580e+01
Coefficient B			1.42320e+00
Coefficient C			-7.90360e-04
Coefficient D			1.41800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.96	J/mol×K	273.00	Calculated Property
Cp,gas	349.30	J/mol×K	353.78	Calculated Property
Cp,gas	419.29	J/mol×K	434.56	Calculated Property
Cp,gas	481.38	J/mol×K	515.33	Calculated Property
Cp,gas	536.01	J/mol×K	596.11	Calculated Property
Cp,gas	583.64	J/mol×K	676.89	Calculated Property
Cp,gas	624.72	J/mol×K	757.67	Calculated Property
Cp,gas	659.68	J/mol×K	838.44	Calculated Property
Cp,gas	688.99	J/mol×K	919.22	Calculated Property
Cp,gas	713.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013530; 0.0000113]	Pa×s	[434.00; 702.69]	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			-1.91132e+01
Coefficient B			5.42836e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			434.00
Temperature range, max.			702.69
η	0.0013530	Pa×s	434.00	Calculated Property
η	0.0006049	Pa×s	463.85	Calculated Property
η	0.0002981	Pa×s	493.71	Calculated Property
η	0.0001592	Pa×s	523.56	Calculated Property
η	0.0000910	Pa×s	553.42	Calculated Property
η	0.0000551	Pa×s	583.27	Calculated Property
η	0.0000350	Pa×s	613.12	Calculated Property
η	0.0000232	Pa×s	642.98	Calculated Property
η	0.0000160	Pa×s	672.83	Calculated Property
η	0.0000113	Pa×s	702.69	Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Cyclohexylphenoxy)-1,2-propanediol.

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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