Chemical Properties of dihydrobovolide (CAS 51352-68-2)

InChI

InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7-9H,4-6H2,1-3H3/b10-7+

InChI Key

GKHOOSNEXYJMQR-JXMROGBWSA-N

Formula

C11H18O2

SMILES

CCCCC=C1OC(=O)C(C)C1C

Molecular Weight¹

182.26

CAS

51352-68-2

Other Names

• 3,4-dimetthyl-5-pentylidene-2(5H)-furanone

• 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 : 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°	-92.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.90	kJ/mol	Joback Calculated Property
ΔfusH°	27.06	kJ/mol	Joback Calculated Property
ΔvapH°	49.57	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	2.889		Crippen Calculated Property
McVol	158.130	ml/mol	McGowan Calculated Property
Pc	2329.27	kPa	Joback Calculated Property
I	[2131.00; 2179.00]
I	2179.00		NIST
I	2131.00		NIST
I	2131.00		NIST
I	2179.00		NIST
Tboil	563.10	K	Joback Calculated Property
Tc	770.79	K	Joback Calculated Property
Tfus	325.54	K	Joback Calculated Property
Vc	0.603	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.50; 493.41]	J/mol×K	[563.10; 770.79]
Cp,gas	401.50	J/mol×K	563.10	Joback Calculated Property
Cp,gas	418.84	J/mol×K	597.72	Joback Calculated Property
Cp,gas	435.37	J/mol×K	632.33	Joback Calculated Property
Cp,gas	451.09	J/mol×K	666.95	Joback Calculated Property
Cp,gas	466.00	J/mol×K	701.56	Joback Calculated Property
Cp,gas	480.11	J/mol×K	736.18	Joback Calculated Property
Cp,gas	493.41	J/mol×K	770.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to dihydrobovolide.

Sources

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

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