Chemical Properties of «alpha»-Butylcinnamic aldehyde (CAS 7492-44-6)

InChI

InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+

InChI Key

GFBCBQNBXRPRQD-JLHYYAGUSA-N

Formula

C13H16O

SMILES

CCCCC(C=O)=Cc1ccccc1

Molecular Weight¹

188.27

CAS

7492-44-6

Other Names

• «alpha»-butylcinnamaldehyde

• 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°	143.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-53.27	kJ/mol	Joback Calculated Property
ΔfusH°	24.65	kJ/mol	Joback Calculated Property
ΔvapH°	53.57	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	3.459		Crippen Calculated Property
McVol	167.540	ml/mol	McGowan Calculated Property
Pc	2490.03	kPa	Joback Calculated Property
Inp	[1535.00; 1535.00]
Inp	1535.00		NIST
Inp	1535.00		NIST
I	[2160.00; 2160.00]
I	2160.00		NIST
I	2160.00		NIST
Tboil	576.22	K	Joback Calculated Property
Tc	788.88	K	Joback Calculated Property
Tfus	285.65	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.65; 477.46]	J/mol×K	[576.22; 788.88]
Cp,gas	397.65	J/mol×K	576.22	Joback Calculated Property
Cp,gas	413.25	J/mol×K	611.66	Joback Calculated Property
Cp,gas	427.86	J/mol×K	647.11	Joback Calculated Property
Cp,gas	441.53	J/mol×K	682.55	Joback Calculated Property
Cp,gas	454.31	J/mol×K	717.99	Joback Calculated Property
Cp,gas	466.27	J/mol×K	753.44	Joback Calculated Property
Cp,gas	477.46	J/mol×K	788.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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