Chemical Properties of 3-butyl dihydrophthalide

InChI

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

InChI Key

DKHJONPHCWFBAX-UHFFFAOYSA-N

Formula

C12H14O2

SMILES

CCCCC1C(=O)Oc2ccccc21

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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.19	kJ/mol	Joback Calculated Property
log10WS	-3.64		Relay (1.0) Calculated Property
logPoct/wat	2.879		Crippen Calculated Property
McVol	152.760	ml/mol	McGowan Calculated Property
I	[2629.00; 2643.00]
I	2632.00		NIST
I	2632.00		NIST
I	2629.00		NIST
I	2643.00		NIST
I	2629.00		NIST
Tfus	324.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.98; 445.72]	J/mol×K	[562.24; 767.35]
Cp,gas	372.98	J/mol×K	562.24	Joback Calculated Property
Cp,gas	387.21	J/mol×K	596.42	Joback Calculated Property
Cp,gas	400.52	J/mol×K	630.61	Joback Calculated Property
Cp,gas	412.97	J/mol×K	664.79	Joback Calculated Property
Cp,gas	424.62	J/mol×K	698.98	Joback Calculated Property
Cp,gas	435.51	J/mol×K	733.16	Joback Calculated Property
Cp,gas	445.72	J/mol×K	767.35	Joback Calculated Property
η	[0.0005980; 0.0017585]	Pa×s	[331.25; 562.24]
η	0.0017585	Pa×s	331.25	Joback Calculated Property
η	0.0013379	Pa×s	369.75	Joback Calculated Property
η	0.0010717	Pa×s	408.25	Joback Calculated Property
η	0.0008920	Pa×s	446.75	Joback Calculated Property
η	0.0007643	Pa×s	485.24	Joback Calculated Property
η	0.0006700	Pa×s	523.74	Joback Calculated Property
η	0.0005980	Pa×s	562.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-butyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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