Chemical Properties of Butylidene dihydrophthalide

InChI

InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-5,7-9H,2-3,6H2,1H3/b11-8-

InChI Key

HYBKZIMAEUOFDE-FLIBITNWSA-N

Formula

C12H14O2

SMILES

CCCC=C1OC(=O)C2=CC=CCC12

Molecular Weight¹

190.24

• 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_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.68	kJ/mol	Joback Calculated Property
logPoct/wat	2.730		Crippen Calculated Property
McVol	152.760	ml/mol	McGowan Calculated Property
Inp	[1734.00; 1734.00]
Inp	1734.00		NIST
Inp	1734.00		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	[204.26; 501.50]	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			-5.31980e+01
Coefficient B			1.15872e+00
Coefficient C			-8.59820e-04
Coefficient D			2.55800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.26	J/mol×K	273.00	Calculated Property
Cp,gas	260.44	J/mol×K	353.78	Calculated Property
Cp,gas	308.95	J/mol×K	434.56	Calculated Property
Cp,gas	350.60	J/mol×K	515.33	Calculated Property
Cp,gas	386.18	J/mol×K	596.11	Calculated Property
Cp,gas	416.51	J/mol×K	676.89	Calculated Property
Cp,gas	442.40	J/mol×K	757.67	Calculated Property
Cp,gas	464.65	J/mol×K	838.44	Calculated Property
Cp,gas	484.09	J/mol×K	919.22	Calculated Property
Cp,gas	501.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017479; 0.0005904]	Pa×s	[328.33; 541.34]	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			-9.10770e+00
Coefficient B			9.05660e+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.			328.33
Temperature range, max.			541.34
η	0.0017479	Pa×s	328.33	Calculated Property
η	0.0014520	Pa×s	352.00	Calculated Property
η	0.0012347	Pa×s	375.67	Calculated Property
η	0.0010703	Pa×s	399.33	Calculated Property
η	0.0009428	Pa×s	423.00	Calculated Property
η	0.0008417	Pa×s	446.67	Calculated Property
η	0.0007600	Pa×s	470.34	Calculated Property
η	0.0006930	Pa×s	494.01	Calculated Property
η	0.0006373	Pa×s	517.68	Calculated Property
η	0.0005904	Pa×s	541.34	Calculated Property

Similar Compounds

Find more compounds similar to Butylidene dihydrophthalide.

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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