Chemical Properties of 2,3-EPOXYHEXANOL

InChI

InChI=1S/C6H12O2/c1-2-3-5-6(4-7)8-5/h5-7H,2-4H2,1H3

InChI Key

IGRZECZSICIWJA-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CCCC1OC1CO

Molecular Weight¹

116.16

• 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).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.57	kJ/mol	Joback Calculated Property
logPoct/wat	0.546		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Ip	[1421.00; 1428.00]
Ip	1428.00		NIST
Ip	1421.00		NIST
Ip	1428.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[141.45; 353.46]	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			-2.42570e+01
Coefficient B			7.29220e-01
Coefficient C			-4.83900e-04
Coefficient D			1.32400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.45	J/mol×K	273.00	Calculated Property
Cp,gas	179.02	J/mol×K	353.78	Calculated Property
Cp,gas	212.12	J/mol×K	434.56	Calculated Property
Cp,gas	241.15	J/mol×K	515.33	Calculated Property
Cp,gas	266.53	J/mol×K	596.11	Calculated Property
Cp,gas	288.69	J/mol×K	676.89	Calculated Property
Cp,gas	308.05	J/mol×K	757.67	Calculated Property
Cp,gas	325.02	J/mol×K	838.44	Calculated Property
Cp,gas	340.01	J/mol×K	919.22	Calculated Property
Cp,gas	353.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0134670; 0.0004912]	Pa×s	[258.47; 442.43]	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			-1.22710e+01
Coefficient B			2.05833e+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.			258.47
Temperature range, max.			442.43
η	0.0134670	Pa×s	258.47	Calculated Property
η	0.0075129	Pa×s	278.91	Calculated Property
η	0.0045390	Pa×s	299.35	Calculated Property
η	0.0029247	Pa×s	319.79	Calculated Property
η	0.0019868	Pa×s	340.23	Calculated Property
η	0.0014101	Pa×s	360.67	Calculated Property
η	0.0010383	Pa×s	381.11	Calculated Property
η	0.0007887	Pa×s	401.55	Calculated Property
η	0.0006153	Pa×s	421.99	Calculated Property
η	0.0004912	Pa×s	442.43	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-EPOXYHEXANOL.

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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