Chemical Properties of Amylcinnamaldehyde (CAS 1331-92-6)

InChI

InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11+

InChI Key

HMKKIXGYKWDQSV-SDNWHVSQSA-N

Formula

C14H18O

SMILES

CCCCCC(C=O)=Cc1ccccc1

Molecular Weight¹

202.29

CAS

1331-92-6

Other Names

• 2-Propenal, 2-pentyl-3-phenyl
• cinnamaldehyde, monopentyl derivative

• 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°	151.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-73.91	kJ/mol	Joback Calculated Property
ΔfusH°	27.24	kJ/mol	Joback Calculated Property
ΔvapH°	55.79	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.849		Crippen Calculated Property
McVol	181.630	ml/mol	McGowan Calculated Property
Pc	2267.57	kPa	Joback Calculated Property
Inp	[1647.00; 1669.00]
Inp	1662.00		NIST
Inp	1664.00		NIST
Inp	1669.00		NIST
Inp	1664.00		NIST
Inp	1663.00		NIST
Inp	1665.00		NIST
Inp	1669.00		NIST
Inp	Outlier 1647.00		NIST
Inp	1662.00		NIST
I	[2081.00; 2081.00]
I	2081.00		NIST
I	2081.00		NIST
Tboil	599.10	K	Joback Calculated Property
Tc	808.30	K	Joback Calculated Property
Tfus	296.92	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.88; 529.91]	J/mol×K	[599.10; 808.30]
Cp,gas	446.88	J/mol×K	599.10	Joback Calculated Property
Cp,gas	463.04	J/mol×K	633.97	Joback Calculated Property
Cp,gas	478.20	J/mol×K	668.83	Joback Calculated Property
Cp,gas	492.41	J/mol×K	703.70	Joback Calculated Property
Cp,gas	505.72	J/mol×K	738.57	Joback Calculated Property
Cp,gas	518.21	J/mol×K	773.44	Joback Calculated Property
Cp,gas	529.91	J/mol×K	808.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Amylcinnamaldehyde.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.