Chemical Properties of Linalyl cinnamate (CAS 78-37-5)

InChI

InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+

InChI Key

DPFUEXLIKDHJNB-BUHFOSPRSA-N

Formula

C19H24O2

SMILES

C=CC(C)(CCC=C(C)C)OC(=O)C=Cc1ccccc1

Molecular Weight¹

284.39

CAS

78-37-5

• 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.
• 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°	230.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-102.43	kJ/mol	Joback Calculated Property
ΔfusH°	32.19	kJ/mol	Joback Calculated Property
ΔvapH°	67.35	kJ/mol	Joback Calculated Property
log10WS	-5.58		Crippen Calculated Property
logPoct/wat	4.934		Crippen Calculated Property
McVol	249.350	ml/mol	McGowan Calculated Property
Pc	1606.42	kPa	Joback Calculated Property
Inp	[2082.50; 2131.60]
Inp	2082.50		NIST
Inp	2082.50		NIST
Inp	2131.60		NIST
Tboil	738.74	K	Joback Calculated Property
Tc	956.56	K	Joback Calculated Property
Tfus	379.01	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.13; 785.79]	J/mol×K	[738.74; 956.56]
Cp,gas	697.13	J/mol×K	738.74	Joback Calculated Property
Cp,gas	714.41	J/mol×K	775.04	Joback Calculated Property
Cp,gas	730.55	J/mol×K	811.35	Joback Calculated Property
Cp,gas	745.66	J/mol×K	847.65	Joback Calculated Property
Cp,gas	759.83	J/mol×K	883.96	Joback Calculated Property
Cp,gas	773.17	J/mol×K	920.26	Joback Calculated Property
Cp,gas	785.79	J/mol×K	956.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Linalyl cinnamate.

Sources

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

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