Chemical Properties of 1,3-Diethoxypropane (CAS 3459-83-4)

InChI

InChI=1S/C7H16O2/c1-3-8-6-5-7-9-4-2/h3-7H2,1-2H3

InChI Key

IOQSSIPMPIYMDF-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCOCCCOCC

Molecular Weight¹

132.20

CAS

3459-83-4

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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	0.4765		Relay (1.0) Calculated Property
ΔcH°liquid	-4559.10 ± 1.40	kJ/mol	NIST
ΔfG°	-201.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-436.20 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-482.10 ± 1.50	kJ/mol	NIST
ΔfusH°	16.26	kJ/mol	Joback Calculated Property
ΔvapH°	[45.90; 45.92]	kJ/mol
ΔvapH°	45.92	kJ/mol	NIST
ΔvapH°	45.90 ± 0.20	kJ/mol	NIST
ΔvapH°	45.90 ± 0.20	kJ/mol	NIST
ΔvapH°	45.90	kJ/mol	NIST
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-0.80		Relay (1.0) Calculated Property
logPoct/wat	1.450		Crippen Calculated Property
McVol	121.230	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	[828.20; 836.50]
Inp	828.20		NIST
Inp	836.50		NIST
Inp	828.20		NIST
Tboil	413.70	K	NIST
Tc	583.36	K	Relay (1.0) Calculated Property
Tfus	196.94	K	Relay (1.0) Calculated Property
Vc	0.467	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.79; 417.47]	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			4.75250e+01
Coefficient B			5.42440e-01
Coefficient C			-1.35000e-04
Coefficient D			-3.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.79	J/mol×K	273.00	Calculated Property
Cp,gas	220.87	J/mol×K	353.78	Calculated Property
Cp,gas	254.67	J/mol×K	434.56	Calculated Property
Cp,gas	286.08	J/mol×K	515.33	Calculated Property
Cp,gas	314.96	J/mol×K	596.11	Calculated Property
Cp,gas	341.21	J/mol×K	676.89	Calculated Property
Cp,gas	364.71	J/mol×K	757.67	Calculated Property
Cp,gas	385.32	J/mol×K	838.44	Calculated Property
Cp,gas	402.95	J/mol×K	919.22	Calculated Property
Cp,gas	417.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029460; 0.0002079]	Pa×s	[213.11; 398.68]	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			-1.15227e+01
Coefficient B			1.21374e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			213.11
Temperature range, max.			398.68
η	0.0029460	Pa×s	213.11	Calculated Property
η	0.0017825	Pa×s	233.73	Calculated Property
η	0.0011701	Pa×s	254.35	Calculated Property
η	0.0008181	Pa×s	274.97	Calculated Property
η	0.0006013	Pa×s	295.58	Calculated Property
η	0.0004601	Pa×s	316.20	Calculated Property
η	0.0003637	Pa×s	336.82	Calculated Property
η	0.0002954	Pa×s	357.44	Calculated Property
η	0.0002455	Pa×s	378.06	Calculated Property
η	0.0002079	Pa×s	398.68	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diethoxypropane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.