Chemical Properties of Helional

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

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_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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.30	kJ/mol	Joback Calculated Property
ΔvapH°	70.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-2.32		Relay (1.0) Calculated Property
logPoct/wat	1.793		Crippen Calculated Property
McVol	144.540	ml/mol	McGowan Calculated Property
Inp	[1541.00; 1543.00]
Inp	1541.00		NIST
Inp	1543.00		NIST
Tboil	543.25	K	Relay (1.0) Calculated Property
Tfus	309.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[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 Helional.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.