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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.21; 496.36]	J/mol×K	[576.92; 798.58]
Cp,gas	410.21	J/mol×K	576.92	Joback Calculated Property
Cp,gas	426.81	J/mol×K	613.86	Joback Calculated Property
Cp,gas	442.50	J/mol×K	650.81	Joback Calculated Property
Cp,gas	457.28	J/mol×K	687.75	Joback Calculated Property
Cp,gas	471.18	J/mol×K	724.69	Joback Calculated Property
Cp,gas	484.20	J/mol×K	761.63	Joback Calculated Property
Cp,gas	496.36	J/mol×K	798.58	Joback Calculated Property

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

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

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