Chemical Properties of 1«beta»-Acetoxyfuranoeudesm-3-ene

InChI

InChI=1S/C17H22O3/c1-10-5-6-16(20-12(3)18)17(4)8-15-13(7-14(10)17)11(2)9-19-15/h5,9,14,16H,6-8H2,1-4H3/t14?,16-,17?/m0/s1

InChI Key

WXMLDIHHGAREIG-WIHSUSGWSA-N

Formula

C17H22O3

SMILES

CC(=O)OC1CC=C(C)C2Cc3c(C)coc3CC12C

Molecular Weight¹

274.35

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : 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	0.5221		Relay (1.0) Calculated Property
ΔfG°	-92.56	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-444.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.04	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	3.591		Crippen Calculated Property
McVol	218.220	ml/mol	McGowan Calculated Property
Pc	1904.86	kPa	Relay (1.0-beta) Calculated Property
I	[2677.00; 2677.00]
I	2677.00		NIST
I	2677.00		NIST
Tboil	600.03	K	Relay (1.0) Calculated Property
Tc	845.88	K	Relay (1.0) Calculated Property
Tfus	328.92	K	Relay (1.0) Calculated Property
Vc	0.783	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1«beta»-Acetoxyfuranoeudesm-3-ene.

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
• McGowan Method
• NIST Webbook

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