Chemical Properties of pro-val (CAS 52899-09-9)

InChI

InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)

InChI Key

AWJGUZSYVIVZGP-UHFFFAOYSA-N

Formula

C10H18N2O3

SMILES

CC(C)C(NC(=O)C1CCCN1)C(=O)O

Molecular Weight¹

214.26

CAS

52899-09-9

• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[510.16; 579.27]	J/mol×K	[740.90; 964.04]
Cp,gas	510.16	J/mol×K	740.90	Joback Calculated Property
Cp,gas	524.04	J/mol×K	778.09	Joback Calculated Property
Cp,gas	536.91	J/mol×K	815.28	Joback Calculated Property
Cp,gas	548.83	J/mol×K	852.47	Joback Calculated Property
Cp,gas	559.83	J/mol×K	889.66	Joback Calculated Property
Cp,gas	569.96	J/mol×K	926.85	Joback Calculated Property
Cp,gas	579.27	J/mol×K	964.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to pro-val.

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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