Chemical Properties of 2-Propenal, 3-(1,3-benzodioxol-5-yl)- (CAS 14756-00-4)

InChI

InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1+

InChI Key

HZUFMSJUNLSDSZ-OWOJBTEDSA-N

Formula

C10H8O3

SMILES

O=CC=Cc1ccc2c(c1)OCO2

Molecular Weight¹

176.17

CAS

14756-00-4

Other Names

• 3-(1,3-benzodioxol-5-yl)acrylaldehyde
• (E)-3-(Benzo[d][1,3]dioxol-5-yl)acrylaldehyde

• 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).
• 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
ΔfG°	3.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-175.36	kJ/mol	Joback Calculated Property
ΔfusH°	30.43	kJ/mol	Joback Calculated Property
ΔvapH°	57.37	kJ/mol	Joback Calculated Property
log10WS	-2.20		Crippen Calculated Property
logPoct/wat	1.627		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3877.12	kPa	Joback Calculated Property
Inp	[1559.10; 1648.00]
Inp	1559.10		NIST
Inp	1559.10		NIST
Inp	1648.00		NIST
Tboil	582.97	K	Joback Calculated Property
Tc	817.27	K	Joback Calculated Property
Tfus	366.16	K	Joback Calculated Property
Vc	0.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.74; 352.39]	J/mol×K	[582.97; 817.27]
Cp,gas	296.74	J/mol×K	582.97	Joback Calculated Property
Cp,gas	307.99	J/mol×K	622.02	Joback Calculated Property
Cp,gas	318.33	J/mol×K	661.07	Joback Calculated Property
Cp,gas	327.86	J/mol×K	700.12	Joback Calculated Property
Cp,gas	336.65	J/mol×K	739.17	Joback Calculated Property
Cp,gas	344.80	J/mol×K	778.22	Joback Calculated Property
Cp,gas	352.39	J/mol×K	817.27	Joback Calculated Property
η	[0.0004693; 0.0022365]	Pa×s	[366.16; 582.97]
η	0.0022365	Pa×s	366.16	Joback Calculated Property
η	0.0015339	Pa×s	402.30	Joback Calculated Property
η	0.0011194	Pa×s	438.43	Joback Calculated Property
η	0.0008571	Pa×s	474.57	Joback Calculated Property
η	0.0006815	Pa×s	510.70	Joback Calculated Property
η	0.0005586	Pa×s	546.84	Joback Calculated Property
η	0.0004693	Pa×s	582.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenal, 3-(1,3-benzodioxol-5-yl)-.

Sources

• 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.