Chemical Properties of 4-epi-Dehydroabietinol acetate (CAS 24462-15-5)

InChI

InChI=1S/C22H32O2/c1-15(2)17-7-9-19-18(13-17)8-10-20-21(4,14-24-16(3)23)11-6-12-22(19,20)5/h7,9,13,15,20H,6,8,10-12,14H2,1-5H3

InChI Key

SNKPCSRNBVWIIG-UHFFFAOYSA-N

Formula

C22H32O2

SMILES

CC(=O)OCC1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12

Molecular Weight¹

328.49

CAS

24462-15-5

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6214		Relay (1.0) Calculated Property
ΔfG°	69.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.81	kJ/mol	Joback Calculated Property
ΔvapH°	106.46	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-5.74		Relay (1.0) Calculated Property
logPoct/wat	5.383		Crippen Calculated Property
McVol	282.800	ml/mol	McGowan Calculated Property
Pc	1470.23	kPa	Joback Calculated Property
Inp	[2451.10; 2451.10]
Inp	2451.10		NIST
Inp	2451.10		NIST
Tboil	646.62	K	Relay (1.0) Calculated Property
Tc	893.79	K	Relay (1.0) Calculated Property
Tfus	345.54	K	Relay (1.0) Calculated Property
Vc	1.008	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[917.37; 1065.43]	J/mol×K	[833.08; 1063.93]
Cp,gas	917.37	J/mol×K	833.08	Joback Calculated Property
Cp,gas	941.28	J/mol×K	871.55	Joback Calculated Property
Cp,gas	965.10	J/mol×K	910.03	Joback Calculated Property
Cp,gas	989.13	J/mol×K	948.50	Joback Calculated Property
Cp,gas	1013.66	J/mol×K	986.98	Joback Calculated Property
Cp,gas	1038.99	J/mol×K	1025.45	Joback Calculated Property
Cp,gas	1065.43	J/mol×K	1063.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-epi-Dehydroabietinol acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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