Chemical Properties of 1,3-Benzodioxole-5-propanal, «alpha»-methyl- (CAS 1205-17-0)

InChI

InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3

InChI Key

BOPPSUHPZARXTH-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

CC(C=O)Cc1ccc2c(c1)OCO2

Molecular Weight¹

192.21

CAS

1205-17-0

Other Names

• «alpha»-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde
• Hydrocinnamaldehyde, «alpha»-methyl-3,4-(methylenedioxy)-
• Helional
• «alpha»-methyl-1,3-benzodioxole-5-propionaldehyde

• 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°	-70.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-318.50	kJ/mol	Joback Calculated Property
ΔfusH°	29.30	kJ/mol	Joback Calculated Property
ΔvapH°	59.25	kJ/mol	Joback Calculated Property
log10WS	-2.36		Crippen Calculated Property
logPoct/wat	1.793		Crippen Calculated Property
McVol	144.540	ml/mol	McGowan Calculated Property
Pc	3280.28	kPa	Joback Calculated Property
Inp	[1541.00; 1543.00]
Inp	1541.00		NIST
Inp	1543.00		NIST
Tboil	601.25	K	Joback Calculated Property
Tc	825.96	K	Joback Calculated Property
Tfus	367.51	K	Joback Calculated Property
Vc	0.554	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[364.01; 430.03]	J/mol×K	[601.25; 825.96]
Cp,gas	364.01	J/mol×K	601.25	Joback Calculated Property
Cp,gas	377.10	J/mol×K	638.70	Joback Calculated Property
Cp,gas	389.26	J/mol×K	676.15	Joback Calculated Property
Cp,gas	400.57	J/mol×K	713.60	Joback Calculated Property
Cp,gas	411.09	J/mol×K	751.06	Joback Calculated Property
Cp,gas	420.89	J/mol×K	788.51	Joback Calculated Property
Cp,gas	430.03	J/mol×K	825.96	Joback Calculated Property
η	[0.0004783; 0.0028674]	Pa×s	[367.51; 601.25]
η	0.0028674	Pa×s	367.51	Joback Calculated Property
η	0.0018439	Pa×s	406.47	Joback Calculated Property
η	0.0012809	Pa×s	445.42	Joback Calculated Property
η	0.0009435	Pa×s	484.38	Joback Calculated Property
η	0.0007273	Pa×s	523.34	Joback Calculated Property
η	0.0005813	Pa×s	562.29	Joback Calculated Property
η	0.0004783	Pa×s	601.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzodioxole-5-propanal, «alpha»-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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