Chemical Properties of Propane, 1,1,3-triethoxy- (CAS 7789-92-6)

InChI

InChI=1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3

InChI Key

LGICWIVABSMSDK-UHFFFAOYSA-N

Formula

C9H20O3

SMILES

CCOCCC(OCC)OCC

Molecular Weight¹

176.25

CAS

7789-92-6

Other Names

• 1,1,3-Triethoxypropane
• 1,3,3-Triethoxypropane
• 3-Ethoxypropionaldehyde diethyl acetal
• Propane, 1,3,3-triethoxy-
• Propionaldehyde, 3-ethoxy-, diethyl acetal
• «beta»-Ethoxypropionaldehyde diethyl acetal

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5276		Relay (1.0) Calculated Property
ΔfG°	-292.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-654.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.11	kJ/mol	Joback Calculated Property
ΔvapH°	56.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-0.81		Relay (1.0) Calculated Property
logPoct/wat	1.812		Crippen Calculated Property
McVol	155.280	ml/mol	McGowan Calculated Property
Pc	2214.53	kPa	Joback Calculated Property
Inp	[1075.00; 1079.00]
Inp	1076.00		NIST
Inp	1075.00		NIST
Inp	1079.00		NIST
Inp	1075.00		NIST
Ip	[1290.00; 1303.00]
Ip	1299.00		NIST
Ip	1297.00		NIST
Ip	1291.00		NIST
Ip	1290.00		NIST
Ip	1303.00		NIST
Ip	1299.00		NIST
Tboil	458.20	K	NIST
Tc	618.73	K	Relay (1.0) Calculated Property
Tfus	326.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.590	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.30; 539.69]	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			6.95250e+01
Coefficient B			6.75160e-01
Coefficient C			-1.36000e-04
Coefficient D			-6.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.30	J/mol×K	273.00	Calculated Property
Cp,gas	288.30	J/mol×K	353.78	Calculated Property
Cp,gas	331.58	J/mol×K	434.56	Calculated Property
Cp,gas	371.90	J/mol×K	515.33	Calculated Property
Cp,gas	409.05	J/mol×K	596.11	Calculated Property
Cp,gas	442.82	J/mol×K	676.89	Calculated Property
Cp,gas	472.99	J/mol×K	757.67	Calculated Property
Cp,gas	499.33	J/mol×K	838.44	Calculated Property
Cp,gas	521.64	J/mol×K	919.22	Calculated Property
Cp,gas	539.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006337; 0.0001731]	Pa×s	[326.15; 447.40]	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			-1.21531e+01
Coefficient B			1.56197e+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.			326.15
Temperature range, max.			447.40
η	0.0006337	Pa×s	326.15	Calculated Property
η	0.0005241	Pa×s	339.62	Calculated Property
η	0.0004397	Pa×s	353.09	Calculated Property
η	0.0003737	Pa×s	366.57	Calculated Property
η	0.0003213	Pa×s	380.04	Calculated Property
η	0.0002792	Pa×s	393.51	Calculated Property
η	0.0002448	Pa×s	406.98	Calculated Property
η	0.0002165	Pa×s	420.46	Calculated Property
η	0.0001929	Pa×s	433.93	Calculated Property
η	0.0001731	Pa×s	447.40	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1,3-triethoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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