Chemical Properties of 5-Hydroxy-3,4-dimethyl-5-pentyl-2(5H)-furanone

InChI

InChI=1S/C11H18O3/c1-4-5-6-7-11(13)9(3)8(2)10(12)14-11/h13H,4-7H2,1-3H3

InChI Key

VJZWZDQDXPADSE-UHFFFAOYSA-N

Formula

C11H18O3

SMILES

CCCCCC1(O)OC(=O)C(C)=C1C

Molecular Weight¹

198.26

• 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°	-262.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-581.74	kJ/mol	Joback Calculated Property
ΔfusH°	23.90	kJ/mol	Joback Calculated Property
ΔvapH°	66.24	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	2.149		Crippen Calculated Property
McVol	164.000	ml/mol	McGowan Calculated Property
Pc	2698.60	kPa	Joback Calculated Property
Inp	[1534.00; 1536.00]
Inp	1536.00		NIST
Inp	1536.00		NIST
Inp	1534.00		NIST
I	[2710.00; 2710.00]
I	2710.00		NIST
I	2710.00		NIST
Tboil	662.67	K	Joback Calculated Property
Tc	862.15	K	Joback Calculated Property
Tfus	429.94	K	Joback Calculated Property
Vc	0.624	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.06; 530.66]	J/mol×K	[662.67; 862.15]
Cp,gas	456.06	J/mol×K	662.67	Joback Calculated Property
Cp,gas	469.57	J/mol×K	695.92	Joback Calculated Property
Cp,gas	482.56	J/mol×K	729.16	Joback Calculated Property
Cp,gas	495.10	J/mol×K	762.41	Joback Calculated Property
Cp,gas	507.25	J/mol×K	795.66	Joback Calculated Property
Cp,gas	519.08	J/mol×K	828.90	Joback Calculated Property
Cp,gas	530.66	J/mol×K	862.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxy-3,4-dimethyl-5-pentyl-2(5H)-furanone.

Sources

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

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