Chemical Properties of Benzene, (3,3-diethoxy-1-propynyl)-

InChI

InChI=1S/C13H16O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4H2,1-2H3

InChI Key

DTEGZYXCDQFSBZ-UHFFFAOYSA-N

Formula

C13H16O2

SMILES

CCOC(C#Cc1ccccc1)OCC

Molecular Weight¹

204.27

Other Names

• Propiolaldehyde, phenyl-, diethyl acetal
• Phenylpropargyl aldehyde diethyl acetal
• 3-Phenylpropynal diethyl acetal
• 3-Phenyl-2-propynyl aldehyde diethyl acetal
• Phenylpropiolic aldehyde diethylacetal
• dehydrocinnamaldehyde-diethylacetal

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[372.70; 416.00]	K	[0.30; 2.00]
Tboilr	372.70	K	0.30	NIST
Tboilr	416.00	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.60; 547.90]	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			2.40420e+01
Coefficient B			8.89640e-01
Coefficient C			-4.03660e-04
Coefficient D			3.78800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.60	J/mol×K	273.00	Calculated Property
Cp,gas	289.93	J/mol×K	353.78	Calculated Property
Cp,gas	337.52	J/mol×K	434.56	Calculated Property
Cp,gas	380.49	J/mol×K	515.33	Calculated Property
Cp,gas	418.95	J/mol×K	596.11	Calculated Property
Cp,gas	453.03	J/mol×K	676.89	Calculated Property
Cp,gas	482.84	J/mol×K	757.67	Calculated Property
Cp,gas	508.51	J/mol×K	838.44	Calculated Property
Cp,gas	530.16	J/mol×K	919.22	Calculated Property
Cp,gas	547.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (3,3-diethoxy-1-propynyl)-.

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.