Chemical Properties of Pallensin (CAS 1275525-58-0)

InChI

InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3

InChI Key

NGPDZEACIWDCKX-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

CC1C(=O)OC2C1CCC1(C)C(=O)C=CC(C)(O)C21

Molecular Weight¹

264.32

CAS

1275525-58-0

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.54	kJ/mol	Joback Calculated Property
log10WS	-2.34		Relay (1.0) Calculated Property
logPoct/wat	1.470		Crippen Calculated Property
McVol	200.210	ml/mol	McGowan Calculated Property
Inp	[2150.10; 2150.10]
Inp	2150.10		NIST
Inp	2150.10		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 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	[687.56; 811.69]	J/mol×K	[820.30; 1059.26]
Cp,gas	687.56	J/mol×K	820.30	Joback Calculated Property
Cp,gas	707.76	J/mol×K	860.13	Joback Calculated Property
Cp,gas	727.84	J/mol×K	899.95	Joback Calculated Property
Cp,gas	748.03	J/mol×K	939.78	Joback Calculated Property
Cp,gas	768.57	J/mol×K	979.60	Joback Calculated Property
Cp,gas	789.71	J/mol×K	1019.43	Joback Calculated Property
Cp,gas	811.69	J/mol×K	1059.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pallensin.

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.