Chemical Properties of 3(2H)-Furanone, 5-methyl-2-octyl- (CAS 57877-72-2)

InChI

InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-13-12(14)10-11(2)15-13/h10,13H,3-9H2,1-2H3

InChI Key

ZLLDSWALGJWTSW-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CCCCCCCCC1OC(C)=CC1=O

Molecular Weight¹

210.31

CAS

57877-72-2

Other Names

• 2,3-Dihydro-2-n-octyl-5-methyl-furan-3-one
• 2,3-Dihydro-5-methyl-2-n-octylfuran-3-one
• 2H-Furan-3-one, 5-methyl-2-octyl

• 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	0.6067		Relay (1.0) Calculated Property
ΔfG°	-93.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.68	kJ/mol	Joback Calculated Property
ΔvapH°	73.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.609		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	1994.77	kPa	Joback Calculated Property
Inp	[1619.00; 1652.80]
Inp	1626.00		NIST
Inp	1631.00		NIST
Inp	1622.00		NIST
Inp	1619.00		NIST
Inp	1652.80		NIST
Inp	1626.00		NIST
Inp	1652.80		NIST
Tboil	538.77	K	Relay (1.0) Calculated Property
Tc	744.01	K	Relay (1.0) Calculated Property
Tfus	306.68	K	Relay (1.0) Calculated Property
Vc	0.703	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.23; 595.23]	J/mol×K	[611.03; 809.57]
Cp,gas	501.23	J/mol×K	611.03	Joback Calculated Property
Cp,gas	519.02	J/mol×K	644.12	Joback Calculated Property
Cp,gas	535.96	J/mol×K	677.21	Joback Calculated Property
Cp,gas	552.04	J/mol×K	710.30	Joback Calculated Property
Cp,gas	567.27	J/mol×K	743.39	Joback Calculated Property
Cp,gas	581.66	J/mol×K	776.48	Joback Calculated Property
Cp,gas	595.23	J/mol×K	809.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-Furanone, 5-methyl-2-octyl-.

Sources

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

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