Chemical Properties of Dehydroabietic acid (CAS 1740-19-8)

InChI

InChI=1S/C20H28O2/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/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19?,20-/m0/s1

InChI Key

NFWKVWVWBFBAOV-UUKMXZOPSA-N

Formula

C20H28O2

SMILES

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

Molecular Weight¹

300.44

CAS

1740-19-8

Other Names

• 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-
• (1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
• Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-
• Abieta-8,11,13-trien-18-oic acid
• Abietic acid, dehydro-
• Dehydroabietate
• 1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid-, [1R-(1«alpha»,4a«beta»,10a«alpha»)]-
• 13-Isopropylpodocarpa-8,11,13-trien-15-oic acid
• 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
• NSC 2952
• [1R-(1«alpha»,4a«beta»,10a«alpha»)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid

• 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	0.7184		Relay (1.0) Calculated Property
ΔfG°	21.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-468.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.53	kJ/mol	Joback Calculated Property
ΔvapH°	127.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	4.905		Crippen Calculated Property
McVol	254.620	ml/mol	McGowan Calculated Property
Pc	1878.90	kPa	Joback Calculated Property
Inp	[399.90; 2457.00]
Inp	2380.00		NIST
Inp	2457.00		NIST
Inp	399.90		NIST
Tboil	636.69	K	Relay (1.0) Calculated Property
Tc	922.85	K	Relay (1.0) Calculated Property
Tfus	394.49	K	Relay (1.0) Calculated Property
Vc	0.899	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[836.11; 973.73]	J/mol×K	[857.08; 1083.04]
Cp,gas	836.11	J/mol×K	857.08	Joback Calculated Property
Cp,gas	857.31	J/mol×K	894.74	Joback Calculated Property
Cp,gas	878.82	J/mol×K	932.40	Joback Calculated Property
Cp,gas	900.93	J/mol×K	970.06	Joback Calculated Property
Cp,gas	923.92	J/mol×K	1007.72	Joback Calculated Property
Cp,gas	948.09	J/mol×K	1045.38	Joback Calculated Property
Cp,gas	973.73	J/mol×K	1083.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydroabietic acid.

Sources

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

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