Chemical Properties of Propane, 1,1,1-triethoxy- (CAS 115-80-0)

InChI

InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3

InChI Key

FGWYWKIOMUZSQF-UHFFFAOYSA-N

Formula

C9H20O3

SMILES

CCOC(CC)(OCC)OCC

Molecular Weight¹

176.25

CAS

115-80-0

Other Names

• Orthopropionic acid, triethyl ester
• Ethyl orthopropionate
• Orthopropionic acid ethyl ester
• Triethyl orthopropionate

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[241.16; 540.61]	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			4.67340e+01
Coefficient B			7.95080e-01
Coefficient C			-3.04600e-04
Coefficient D			3.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.16	J/mol×K	273.00	Calculated Property
Cp,gas	290.04	J/mol×K	353.78	Calculated Property
Cp,gas	335.00	J/mol×K	434.56	Calculated Property
Cp,gas	376.04	J/mol×K	515.33	Calculated Property
Cp,gas	413.17	J/mol×K	596.11	Calculated Property
Cp,gas	446.41	J/mol×K	676.89	Calculated Property
Cp,gas	475.76	J/mol×K	757.67	Calculated Property
Cp,gas	501.24	J/mol×K	838.44	Calculated Property
Cp,gas	522.85	J/mol×K	919.22	Calculated Property
Cp,gas	540.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031085; 0.0001787]	Pa×s	[260.30; 449.81]	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			-1.25531e+01
Coefficient B			1.76469e+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.			260.30
Temperature range, max.			449.81
η	0.0031085	Pa×s	260.30	Calculated Property
η	0.0018716	Pa×s	281.36	Calculated Property
η	0.0012093	Pa×s	302.41	Calculated Property
η	0.0008271	Pa×s	323.47	Calculated Property
η	0.0005926	Pa×s	344.53	Calculated Property
η	0.0004412	Pa×s	365.58	Calculated Property
η	0.0003392	Pa×s	386.64	Calculated Property
η	0.0002680	Pa×s	407.70	Calculated Property
η	0.0002167	Pa×s	428.75	Calculated Property
η	0.0001787	Pa×s	449.81	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1,1-triethoxy-.

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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