Chemical Properties of Amigdalin

InChI

InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2

InChI Key

XUCIJNAGGSZNQT-UHFFFAOYSA-N

Formula

C20H27NO11

SMILES

N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1

Molecular Weight¹

457.43

Other Names

• amygdalin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	78.77	kJ/mol	Joback Calculated Property
log10WS	[-0.77; -0.77]
log10WS	-0.77		Aq. Solubility Prediction
log10WS	-0.77		Estimated Solubility
logPoct/wat	-3.108		Crippen Calculated Property
McVol	313.130	ml/mol	McGowan Calculated Property
Tfus	497.65	K	Aq. Solubility Prediction

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	[268.09; 1093.25]	J/mol×K	[1531.26; 2253.39]
Cp,gas	1093.25	J/mol×K	1531.26	Joback Calculated Property
Cp,gas	1017.60	J/mol×K	1651.62	Joback Calculated Property
Cp,gas	917.46	J/mol×K	1771.97	Joback Calculated Property
Cp,gas	792.65	J/mol×K	1892.33	Joback Calculated Property
Cp,gas	642.95	J/mol×K	2012.68	Joback Calculated Property
Cp,gas	468.17	J/mol×K	2133.04	Joback Calculated Property
Cp,gas	268.09	J/mol×K	2253.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Amigdalin.

Sources

• 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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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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