Chemical Properties of «alpha»-Heptylcinnamic aldehyde (CAS 20175-19-3)

InChI

InChI=1S/C16H22O/c1-2-3-4-5-7-12-16(14-17)13-15-10-8-6-9-11-15/h6,8-11,13-14H,2-5,7,12H2,1H3/b16-13+

InChI Key

VXDUTTLHVAAEFQ-DTQAZKPQSA-N

Formula

C16H22O

SMILES

CCCCCCCC(C=O)=Cc1ccccc1

Molecular Weight¹

230.35

CAS

20175-19-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : 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°	32.42	kJ/mol	Joback Calculated Property
logPoct/wat	4.629		Crippen Calculated Property
McVol	209.810	ml/mol	McGowan Calculated Property
Inp	[1827.00; 1827.00]
Inp	1827.00		NIST
Inp	1827.00		NIST
Ip	[2409.00; 2409.00]
Ip	2409.00		NIST
Ip	2409.00		NIST
Tboil	588.67	K	Relay (1.0) Calculated Property
Tfus	275.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[278.71; 686.19]	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			-4.80340e+01
Coefficient B			1.43932e+00
Coefficient C			-9.56900e-04
Coefficient D			2.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.71	J/mol×K	273.00	Calculated Property
Cp,gas	352.55	J/mol×K	353.78	Calculated Property
Cp,gas	417.39	J/mol×K	434.56	Calculated Property
Cp,gas	474.03	J/mol×K	515.33	Calculated Property
Cp,gas	523.27	J/mol×K	596.11	Calculated Property
Cp,gas	565.89	J/mol×K	676.89	Calculated Property
Cp,gas	602.69	J/mol×K	757.67	Calculated Property
Cp,gas	634.48	J/mol×K	838.44	Calculated Property
Cp,gas	662.05	J/mol×K	919.22	Calculated Property
Cp,gas	686.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Heptylcinnamic aldehyde.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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