Chemical Properties of 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2S-[2«alpha»(R*),5«alpha»]]- (CAS 20482-11-5)

InChI

InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12?,14-,15-/m1/s1

InChI Key

FJKKZNIYYVEYOL-JENMUQSASA-N

Formula

C15H24O2

SMILES

C=CC1(C)CCC(C(C)C(=O)CC=C(C)C)O1

Molecular Weight¹

236.35

CAS

20482-11-5

Other Names

• 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-, (+)-
• Davanone
• 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-
• 5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-

• 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.
• 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	0.4188		Relay (... Calculated Property
ΔfG°	40.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-384.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.98	kJ/mol	Joback Calculated Property
ΔvapH°	68.68	kJ/mol	Relay (... Calculated Property
IE	8.25	eV	Relay (... Calculated Property
log10WS	-2.54		Relay (... Calculated Property
logPoct/wat	3.672		Crippen Calculated Property
McVol	210.190	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[1552.00; 1609.00]
Inp	1567.00		NIST
Inp	1559.00		NIST
Inp	1561.00		NIST
Inp	1592.00		NIST
Inp	1586.00		NIST
Inp	1568.00		NIST
Inp	1592.00		NIST
Inp	1561.00		NIST
Inp	1554.00		NIST
Inp	1554.00		NIST
Inp	1567.00		NIST
Inp	1552.00		NIST
Inp	1593.00		NIST
Inp	1588.00		NIST
Inp	1608.00		NIST
Inp	1580.00		NIST
Inp	1553.00		NIST
Inp	1567.00		NIST
Inp	1608.00		NIST
Inp	1609.00		NIST
Inp	1588.00		NIST
Inp	1586.00		NIST
Inp	1567.00		NIST
Inp	1561.00		NIST
Inp	1593.00		NIST
Inp	1608.00		NIST
Inp	1559.00		NIST
Inp	1592.00		NIST
I	[2040.00; 2040.00]
I	2040.00		NIST
I	2040.00		NIST
Tboil	543.04	K	Relay (... Calculated Property
Tc	736.72	K	Relay (... Calculated Property
Tfus	305.10	K	Relay (... Calculated Property
Vc	0.734	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.19; 675.35]	J/mol×K	[634.55; 845.68]
Cp,gas	573.19	J/mol×K	634.55	Joback Calculated Property
Cp,gas	592.37	J/mol×K	669.74	Joback Calculated Property
Cp,gas	610.50	J/mol×K	704.93	Joback Calculated Property
Cp,gas	627.73	J/mol×K	740.11	Joback Calculated Property
Cp,gas	644.19	J/mol×K	775.30	Joback Calculated Property
Cp,gas	660.02	J/mol×K	810.49	Joback Calculated Property
Cp,gas	675.35	J/mol×K	845.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2S-[2«alpha»(R*),5«alpha»]]-.

Sources

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

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