Chemical Properties of Dehydroabietic acid, trimethylsilyl ester (CAS 21414-49-3)

InChI

InChI=1S/C23H36O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h9,11,15-16,20H,8,10,12-14H2,1-7H3

InChI Key

HSHYFFAXUHETAU-UHFFFAOYSA-N

Formula

C23H36O2Si

SMILES

CC(C)c1ccc2c(c1)CCC1C(C)(C(=O)O[Si](C)(C)C)CCCC21C

Molecular Weight¹

372.62

CAS

21414-49-3

Other Names

• Dehydroabietic acid, TMS
• Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, trimethylsilyl ester
• Abieta-8,11,13-trienoic acid, TMS ester
• Dehydroabietic acid TMS ester
• Dehydroabietic acid, tms derivative

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• 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	0.6292		Relay (1.0) Calculated Property
ΔfG°	-1.82	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-606.08	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	103.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	6.198		Crippen Calculated Property
Pc	780.05	kPa	Relay (1.0-beta) Calculated Property
Inp	[2373.00; 2385.00]
Inp	2385.00		NIST
Inp	2373.00		NIST
Tboil	637.42	K	Relay (1.0) Calculated Property
Tc	896.03	K	Relay (1.0) Calculated Property
Tfus	352.10	K	Relay (1.0) Calculated Property
Vc	1.182	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dehydroabietic acid, trimethylsilyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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