Chemical Properties of Cinnamaldehyde, «alpha»-pentyl- (CAS 122-40-7)

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-KAMYIIQDSA-N

Formula

C14H18O

SMILES

CCCCCC(C=O)=Cc1ccccc1

Molecular Weight¹

202.29

CAS

122-40-7

Other Names

• Heptanal, 2-(phenylmethylene)-
• «alpha»-Amyl-«beta»-phenylacrolein
• «alpha»-Amylcinnamaldehyde
• «alpha»-Pentylcinnamaldehyde
• Amylcinnamaldehyde
• Flomine
• Jasminal
• Jasminaldehyde
• «alpha»-Amylcinnamic aldehyde
• «alpha»-n-Amylcinnamaldehyde
• Amylcinnamic aldehyde
• Heptanal, 2-benzylidene-
• «alpha»-n-Amylcinnamic aldehyde
• 2-(Phenylmethylene)heptanal
• 2-Benzylideneheptanal
• Amylcinnamic acid aldehyde
• Cinnamaldehyde, «alpha»-amyl-
• Jasmine aldehyde
• NSC 6649
• Pentylcinnamaldehyde
• Amyl cinnamal
• Jasmal

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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	[1598.00; 1672.00]
Inp	1615.10		NIST
Inp	1645.00		NIST
Inp	1672.00		NIST
Inp	1631.00		NIST
Inp	1598.00		NIST
Inp	1598.00		NIST
Inp	1615.10		NIST
Inp	1672.00		NIST
Inp	1645.00		NIST
I	[2247.00; 2247.00]
I	2247.00		NIST
I	2247.00		NIST
Tboil	561.70	K	NIST
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
ΔvapH	75.30	kJ/mol	307.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cinnamaldehyde, «alpha»-pentyl-.

Sources

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

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