Chemical Properties of 2(3H)-Furanone, dihydro-5-(2-octenyl)-, (Z)- (CAS 18679-18-0)

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-

InChI Key

QFXOXDSHNXAFEY-SREVYHEPSA-N

Formula

C12H20O2

SMILES

CCCCCC=CCC1CCC(=O)O1

Molecular Weight¹

196.29

CAS

18679-18-0

Other Names

• cis-4-Hydroxydodec-6-enoic acid lactone
• cis-6-Dodecen-4-olide
• cis-«gamma»-Dodec-6-enolactone
• (Z)-4-Hydroxy-6-dodecenoic acid lactone
• (Z)-6-Dodecen-4-olide
• 5-[(2Z)-2-Octenyl]dihydro-2(3H)-furanone
• «gamma»-6-(Z)-Dodecenolactone
• «gamma»-Dodec-cis-6-enolactone
• 6-(Z)-Dodecen-«gamma»-lactone
• (Z)-6-Dodecen-«gamma»-lactone
• (Z)-6-Dodeceno-«gamma»-lactone
• (Z)-6-Dodecenyl-«gamma»-lactone
• (Z)-Dodec-6-en-4-olide
• 2(3H)-Furanone, dihydro-5-(2Z)-2-octen-1-yl-
• cis-6-Dodecen-«gamma»-lactone
• (Z)-6-«gamma»-Dodecenolactone
• cis-«gamma»-6-Dodecenolactone
• (Z)-dihydro-5-(2-octenyl)furan-2(3H)-one

• 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).
• 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
ΔfG°	-41.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-383.01	kJ/mol	Joback Calculated Property
ΔfusH°	28.46	kJ/mol	Joback Calculated Property
ΔvapH°	51.28	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	3.219		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[1650.00; 1680.00]
Inp	1680.00		NIST
Inp	1670.00		NIST
Inp	1650.00		NIST
Inp	1651.00		NIST
Inp	1676.00		NIST
Inp	1662.00		NIST
Inp	1656.00		NIST
Inp	1657.00		NIST
Inp	1663.00		NIST
Inp	1675.00		NIST
Inp	1661.00		NIST
Inp	1655.00		NIST
Inp	1660.00		NIST
Inp	1670.00		NIST
Inp	1657.00		NIST
Inp	1656.00		NIST
I	[2380.00; 2435.00]
I	2435.00		NIST
I	2405.00		NIST
I	2385.00		NIST
I	2393.00		NIST
I	2390.00		NIST
I	2394.00		NIST
I	2396.00		NIST
I	2393.00		NIST
I	2425.00		NIST
I	2425.00		NIST
I	2380.00		NIST
I	2396.00		NIST
I	2425.00		NIST
Tboil	588.17	K	Joback Calculated Property
Tc	795.16	K	Joback Calculated Property
Tfus	325.61	K	Joback Calculated Property
Vc	0.656	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[450.55; 545.49]	J/mol×K	[588.17; 795.16]
Cp,gas	450.55	J/mol×K	588.17	Joback Calculated Property
Cp,gas	468.68	J/mol×K	622.67	Joback Calculated Property
Cp,gas	485.86	J/mol×K	657.17	Joback Calculated Property
Cp,gas	502.11	J/mol×K	691.66	Joback Calculated Property
Cp,gas	517.44	J/mol×K	726.16	Joback Calculated Property
Cp,gas	531.90	J/mol×K	760.66	Joback Calculated Property
Cp,gas	545.49	J/mol×K	795.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(3H)-Furanone, dihydro-5-(2-octenyl)-, (Z)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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