Chemical Properties of 3-Acetoxyamorpha-4,7(11)-dien-8-one

InChI

InChI=1S/C17H24O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,10,13-14,16H,7-8H2,1-5H3/t10-,13?,14?,16?/m0/s1

InChI Key

HIEJMYXUMUNVKS-GDKBLKOGSA-N

Formula

C17H24O3

SMILES

CC(=O)OC1CC2C(C)CC(=O)C(=C(C)C)C2C=C1C

Molecular Weight¹

276.37

• 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	0.4892		Relay (1.0) Calculated Property
ΔfG°	-149.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-548.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.94	kJ/mol	Joback Calculated Property
ΔvapH°	88.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-3.42		Relay (1.0) Calculated Property
logPoct/wat	3.446		Crippen Calculated Property
McVol	229.080	ml/mol	McGowan Calculated Property
Pc	1707.53	kPa	Joback Calculated Property
Inp	[1965.00; 1965.00]
Inp	1965.00		NIST
Inp	1965.00		NIST
Tboil	580.49	K	Relay (1.0) Calculated Property
Tc	809.99	K	Relay (1.0) Calculated Property
Tfus	372.10	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.29; 811.20]	J/mol×K	[764.35; 990.00]
Cp,gas	713.29	J/mol×K	764.35	Joback Calculated Property
Cp,gas	733.24	J/mol×K	801.96	Joback Calculated Property
Cp,gas	751.73	J/mol×K	839.57	Joback Calculated Property
Cp,gas	768.77	J/mol×K	877.17	Joback Calculated Property
Cp,gas	784.36	J/mol×K	914.78	Joback Calculated Property
Cp,gas	798.50	J/mol×K	952.39	Joback Calculated Property
Cp,gas	811.20	J/mol×K	990.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Acetoxyamorpha-4,7(11)-dien-8-one.

Sources

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

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