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)-
• «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°	71.66	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	303.77	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.29; 465.66]	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			-2.42390e+01
Coefficient B			1.00272e+00
Coefficient C			-7.15720e-04
Coefficient D			2.02900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.29	J/mol×K	273.00	Calculated Property
Cp,gas	249.91	J/mol×K	353.78	Calculated Property
Cp,gas	292.99	J/mol×K	434.56	Calculated Property
Cp,gas	330.19	J/mol×K	515.33	Calculated Property
Cp,gas	362.14	J/mol×K	596.11	Calculated Property
Cp,gas	389.49	J/mol×K	676.89	Calculated Property
Cp,gas	412.87	J/mol×K	757.67	Calculated Property
Cp,gas	432.94	J/mol×K	838.44	Calculated Property
Cp,gas	450.32	J/mol×K	919.22	Calculated Property
Cp,gas	465.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028674; 0.0005346]	Pa×s	[367.51; 578.36]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.04614e+01
Coefficient B			1.69314e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			367.51
Temperature range, max.			578.36
η	0.0028674	Pa×s	367.51	Calculated Property
η	0.0021757	Pa×s	390.94	Calculated Property
η	0.0017031	Pa×s	414.37	Calculated Property
η	0.0013686	Pa×s	437.79	Calculated Property
η	0.0011245	Pa×s	461.22	Calculated Property
η	0.0009417	Pa×s	484.65	Calculated Property
η	0.0008016	Pa×s	508.08	Calculated Property
η	0.0006921	Pa×s	531.51	Calculated Property
η	0.0006050	Pa×s	554.93	Calculated Property
η	0.0005346	Pa×s	578.36	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

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