Chemical Properties of dihydrobovolide

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

CCCC/C=C1/OC(=O)C(C)C1C

Molecular Weight¹

182.26

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.14	kJ/mol	Joback Calculated Property
logPoct/wat	2.889		Crippen Calculated Property
McVol	158.130	ml/mol	McGowan Calculated Property
Ip	[2131.00; 2179.00]
Ip	2131.00		NIST
Ip	2131.00		NIST
Ip	2179.00		NIST
Ip	2179.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.31; 547.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.49070e+01
Coefficient B			1.04096e+00
Coefficient C			-6.13300e-04
Coefficient D			1.34600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.31	J/mol×K	273.00	Calculated Property
Cp,gas	282.56	J/mol×K	353.78	Calculated Property
Cp,gas	332.68	J/mol×K	434.56	Calculated Property
Cp,gas	377.08	J/mol×K	515.33	Calculated Property
Cp,gas	416.20	J/mol×K	596.11	Calculated Property
Cp,gas	450.45	J/mol×K	676.89	Calculated Property
Cp,gas	480.27	J/mol×K	757.67	Calculated Property
Cp,gas	506.07	J/mol×K	838.44	Calculated Property
Cp,gas	528.29	J/mol×K	919.22	Calculated Property
Cp,gas	547.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015499; 0.0004113]	Pa×s	[280.12; 492.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.54455e+00
Coefficient B			8.61370e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			280.12
Temperature range, max.			492.69
η	0.0015499	Pa×s	280.12	Calculated Property
η	0.0012203	Pa×s	303.74	Calculated Property
η	0.0009945	Pa×s	327.36	Calculated Property
η	0.0008331	Pa×s	350.98	Calculated Property
η	0.0007137	Pa×s	374.59	Calculated Property
η	0.0006227	Pa×s	398.21	Calculated Property
η	0.0005517	Pa×s	421.83	Calculated Property
η	0.0004951	Pa×s	445.45	Calculated Property
η	0.0004491	Pa×s	469.07	Calculated Property
η	0.0004113	Pa×s	492.69	Calculated Property

Similar Compounds

Find more compounds similar to dihydrobovolide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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