Chemical Properties of Dehydroabietol ethyl benzoate

InChI

InChI=1S/C28H36O2/c1-20(2)22-11-13-24-23(19-22)12-14-25-27(3,15-8-16-28(24,25)4)17-18-30-26(29)21-9-6-5-7-10-21/h5-7,9-11,13,19-20,25H,8,12,14-18H2,1-4H3

InChI Key

PXADAXYXIKCJHQ-UHFFFAOYSA-N

Formula

C28H36O2

SMILES

CC(C)c1ccc2c(c1)CCC1C(C)(CCOC(=O)c3ccccc3)CCCC21C

Molecular Weight¹

404.58

• 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°	232.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-277.79	kJ/mol	Joback Calculated Property
ΔfusH°	35.39	kJ/mol	Joback Calculated Property
ΔvapH°	90.12	kJ/mol	Joback Calculated Property
log10WS	-8.06		Crippen Calculated Property
logPoct/wat	7.067		Crippen Calculated Property
McVol	343.580	ml/mol	McGowan Calculated Property
Pc	1228.56	kPa	Joback Calculated Property
Inp	[3230.30; 3230.30]
Inp	3230.30		NIST
Inp	3230.30		NIST
Tboil	997.04	K	Joback Calculated Property
Tc	1243.96	K	Joback Calculated Property
Tfus	612.76	K	Joback Calculated Property
Vc	1.298	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1211.02; 1417.17]	J/mol×K	[997.04; 1243.96]
Cp,gas	1211.02	J/mol×K	997.04	Joback Calculated Property
Cp,gas	1241.08	J/mol×K	1038.19	Joback Calculated Property
Cp,gas	1272.33	J/mol×K	1079.35	Joback Calculated Property
Cp,gas	1305.15	J/mol×K	1120.50	Joback Calculated Property
Cp,gas	1339.97	J/mol×K	1161.65	Joback Calculated Property
Cp,gas	1377.17	J/mol×K	1202.81	Joback Calculated Property
Cp,gas	1417.17	J/mol×K	1243.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydroabietol ethyl benzoate.

Sources

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

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