Chemical Properties of 3,3-Diethoxy-1-propanol (CAS 16777-87-0)

InChI

InChI=1S/C7H16O3/c1-3-9-7(5-6-8)10-4-2/h7-8H,3-6H2,1-2H3

InChI Key

ASERXEZXVIJBRO-UHFFFAOYSA-N

Formula

C7H16O3

SMILES

CCOC(CCO)OCC

Molecular Weight¹

148.20

CAS

16777-87-0

Other Names

• 3,3-Diethoxypropanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.97; 436.67]	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			5.11340e+01
Coefficient B			5.82340e-01
Coefficient C			-1.68600e-04
Coefficient D			-2.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.97	J/mol×K	273.00	Calculated Property
Cp,gas	234.80	J/mol×K	353.78	Calculated Property
Cp,gas	270.04	J/mol×K	434.56	Calculated Property
Cp,gas	302.60	J/mol×K	515.33	Calculated Property
Cp,gas	332.39	J/mol×K	596.11	Calculated Property
Cp,gas	359.32	J/mol×K	676.89	Calculated Property
Cp,gas	383.30	J/mol×K	757.67	Calculated Property
Cp,gas	404.25	J/mol×K	838.44	Calculated Property
Cp,gas	422.07	J/mol×K	919.22	Calculated Property
Cp,gas	436.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0271956; 0.0001753]	Pa×s	[258.93; 462.03]	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			-1.50794e+01
Coefficient B			2.97115e+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.			258.93
Temperature range, max.			462.03
η	0.0271956	Pa×s	258.93	Calculated Property
η	0.0108392	Pa×s	281.50	Calculated Property
η	0.0049522	Pa×s	304.06	Calculated Property
η	0.0025212	Pa×s	326.63	Calculated Property
η	0.0014006	Pa×s	349.20	Calculated Property
η	0.0008356	Pa×s	371.76	Calculated Property
η	0.0005289	Pa×s	394.33	Calculated Property
η	0.0003518	Pa×s	416.89	Calculated Property
η	0.0002440	Pa×s	439.46	Calculated Property
η	0.0001753	Pa×s	462.03	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Diethoxy-1-propanol.

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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