Chemical Properties of Dehydroabietol cinnamate

InChI

InChI=1S/C29H36O2/c1-21(2)23-12-14-25-24(19-23)13-15-26-28(3,17-8-18-29(25,26)4)20-31-27(30)16-11-22-9-6-5-7-10-22/h5-7,9-12,14,16,19,21,26H,8,13,15,17-18,20H2,1-4H3/b16-11+

InChI Key

RPKRJWSKXBIBJU-LFIBNONCSA-N

Formula

C29H36O2

SMILES

CC(C)c1ccc2c(c1)CCC1C(C)(COC(=O)C=Cc3ccccc3)CCCC21C

Molecular Weight¹

416.59

• 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°	321.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.21	kJ/mol	Joback Calculated Property
ΔfusH°	38.18	kJ/mol	Joback Calculated Property
ΔvapH°	92.31	kJ/mol	Joback Calculated Property
log10WS	-7.93		Crippen Calculated Property
logPoct/wat	7.077		Crippen Calculated Property
McVol	353.370	ml/mol	McGowan Calculated Property
Pc	1191.52	kPa	Joback Calculated Property
Inp	[3391.50; 3391.50]
Inp	3391.50		NIST
Inp	3391.50		NIST
Tboil	1024.08	K	Joback Calculated Property
Tc	1275.06	K	Joback Calculated Property
Tfus	618.95	K	Joback Calculated Property
Vc	1.335	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1252.09; 1479.28]	J/mol×K	[1024.08; 1275.06]
Cp,gas	1252.09	J/mol×K	1024.08	Joback Calculated Property
Cp,gas	1284.26	J/mol×K	1065.91	Joback Calculated Property
Cp,gas	1318.10	J/mol×K	1107.74	Joback Calculated Property
Cp,gas	1354.08	J/mol×K	1149.57	Joback Calculated Property
Cp,gas	1392.63	J/mol×K	1191.40	Joback Calculated Property
Cp,gas	1434.22	J/mol×K	1233.23	Joback Calculated Property
Cp,gas	1479.28	J/mol×K	1275.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydroabietol cinnamate.

Sources

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

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