Chemical Properties of 1,1,3-triethoxyhexane (CAS 101-33-7)

InChI

InChI=1S/C12H26O3/c1-5-9-11(13-6-2)10-12(14-7-3)15-8-4/h11-12H,5-10H2,1-4H3

InChI Key

SYPLTTUVUZHTJR-UHFFFAOYSA-N

Formula

C12H26O3

SMILES

CCCC(CC(OCC)OCC)OCC

Molecular Weight¹

218.33

CAS

101-33-7

• 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).
• 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, 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	[305.63; 695.00]	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			6.51160e+01
Coefficient B			9.66080e-01
Coefficient C			-3.02400e-04
Coefficient D			-3.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.63	J/mol×K	273.00	Calculated Property
Cp,gas	367.55	J/mol×K	353.78	Calculated Property
Cp,gas	425.05	J/mol×K	434.56	Calculated Property
Cp,gas	478.04	J/mol×K	515.33	Calculated Property
Cp,gas	526.39	J/mol×K	596.11	Calculated Property
Cp,gas	570.01	J/mol×K	676.89	Calculated Property
Cp,gas	608.79	J/mol×K	757.67	Calculated Property
Cp,gas	642.61	J/mol×K	838.44	Calculated Property
Cp,gas	671.39	J/mol×K	919.22	Calculated Property
Cp,gas	695.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1654291; 0.0001407]	Pa×s	[173.15; 495.17]	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			-1.26700e+01
Coefficient B			1.88227e+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.			173.15
Temperature range, max.			495.17
η	0.1654291	Pa×s	173.15	Calculated Property
η	0.0257101	Pa×s	208.93	Calculated Property
η	0.0068869	Pa×s	244.71	Calculated Property
η	0.0025817	Pa×s	280.49	Calculated Property
η	0.0012083	Pa×s	316.27	Calculated Property
η	0.0006599	Pa×s	352.05	Calculated Property
η	0.0004030	Pa×s	387.83	Calculated Property
η	0.0002675	Pa×s	423.61	Calculated Property
η	0.0001892	Pa×s	459.39	Calculated Property
η	0.0001407	Pa×s	495.17	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,3-triethoxyhexane.

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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