Chemical Properties of E-Isocroweacin (CAS 194609-21-7)

InChI

InChI=1S/C11H12O3/c1-3-4-8-5-6-9-11(10(8)12-2)14-7-13-9/h3-6H,7H2,1-2H3/b4-3+

InChI Key

KLOOULZVSJNLAD-ONEGZZNKSA-N

Formula

C11H12O3

SMILES

CC=Cc1ccc2c(c1OC)OCO2

Molecular Weight¹

192.21

CAS

194609-21-7

• 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°	31.53	kJ/mol	Joback Calculated Property
logPoct/wat	2.457		Crippen Calculated Property
McVol	144.540	ml/mol	McGowan Calculated Property
Inp	[1564.00; 1564.00]
Inp	1564.00		NIST
Inp	1564.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.26; 418.46]	J/mol×K	[584.79; 810.37]
Cp,gas	350.26	J/mol×K	584.79	Joback Calculated Property
Cp,gas	363.58	J/mol×K	622.39	Joback Calculated Property
Cp,gas	376.04	J/mol×K	659.98	Joback Calculated Property
Cp,gas	387.70	J/mol×K	697.58	Joback Calculated Property
Cp,gas	398.62	J/mol×K	735.18	Joback Calculated Property
Cp,gas	408.86	J/mol×K	772.77	Joback Calculated Property
Cp,gas	418.46	J/mol×K	810.37	Joback Calculated Property
η	[0.0002947; 0.0013163]	Pa×s	[370.18; 584.79]
η	0.0013163	Pa×s	370.18	Joback Calculated Property
η	0.0009189	Pa×s	405.95	Joback Calculated Property
η	0.0006800	Pa×s	441.72	Joback Calculated Property
η	0.0005264	Pa×s	477.49	Joback Calculated Property
η	0.0004223	Pa×s	513.25	Joback Calculated Property
η	0.0003486	Pa×s	549.02	Joback Calculated Property
η	0.0002947	Pa×s	584.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to E-Isocroweacin.

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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