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_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.
• I : 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°	168.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-115.19	kJ/mol	Joback Calculated Property
ΔfusH°	32.42	kJ/mol	Joback Calculated Property
ΔvapH°	60.24	kJ/mol	Joback Calculated Property
log10WS	-4.92		Crippen Calculated Property
logPoct/wat	4.629		Crippen Calculated Property
McVol	209.810	ml/mol	McGowan Calculated Property
Pc	1903.58	kPa	Joback Calculated Property
Inp	[1827.00; 1827.00]
Inp	1827.00		NIST
Inp	1827.00		NIST
I	[2409.00; 2409.00]
I	2409.00		NIST
I	2409.00		NIST
Tboil	644.86	K	Joback Calculated Property
Tc	847.89	K	Joback Calculated Property
Tfus	319.46	K	Joback Calculated Property
Vc	0.822	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.73; 637.91]	J/mol×K	[644.86; 847.89]
Cp,gas	549.73	J/mol×K	644.86	Joback Calculated Property
Cp,gas	566.77	J/mol×K	678.70	Joback Calculated Property
Cp,gas	582.80	J/mol×K	712.54	Joback Calculated Property
Cp,gas	597.87	J/mol×K	746.38	Joback Calculated Property
Cp,gas	612.04	J/mol×K	780.22	Joback Calculated Property
Cp,gas	625.36	J/mol×K	814.06	Joback Calculated Property
Cp,gas	637.91	J/mol×K	847.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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