Chemical Properties of 13Alpha-delta(8)-dihydroabietic acid (CAS 17611-16-4)

InChI

InChI=1S/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h13-14,17H,5-12H2,1-4H3,(H,21,22)

InChI Key

OEILFLGOGZTONZ-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

CC(C)C1CCC2=C(CCC3C(C)(C(=O)O)CCCC23C)C1

Molecular Weight¹

304.47

CAS

17611-16-4

Other Names

• Abietic acid, 13«alpha»H-«delta»8-dihydro-

• 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°	-36.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-493.64	kJ/mol	Joback Calculated Property
ΔfusH°	22.54	kJ/mol	Joback Calculated Property
ΔvapH°	82.75	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	5.430		Crippen Calculated Property
McVol	263.220	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
Inp	[2491.90; 2491.90]
Inp	2491.90		NIST
Inp	2491.90		NIST
Tboil	849.11	K	Joback Calculated Property
Tc	1071.56	K	Joback Calculated Property
Tfus	516.49	K	Joback Calculated Property
Vc	0.987	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[896.94; 1040.22]	J/mol×K	[849.11; 1071.56]
Cp,gas	896.94	J/mol×K	849.11	Joback Calculated Property
Cp,gas	919.80	J/mol×K	886.18	Joback Calculated Property
Cp,gas	942.70	J/mol×K	923.26	Joback Calculated Property
Cp,gas	965.91	J/mol×K	960.33	Joback Calculated Property
Cp,gas	989.73	J/mol×K	997.41	Joback Calculated Property
Cp,gas	1014.40	J/mol×K	1034.48	Joback Calculated Property
Cp,gas	1040.22	J/mol×K	1071.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 13Alpha-delta(8)-dihydroabietic acid.

Sources

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

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