Chemical Properties of Estrone, formate

InChI

InChI=1S/C19H22O3/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10-11,15-17H,2,4,6-9H2,1H3

InChI Key

GOZPPZIYUYYOIF-UHFFFAOYSA-N

Formula

C19H22O3

SMILES

CC12CCC3c4ccc(OC=O)cc4CCC3C1CCC2=O

Molecular Weight¹

298.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.19	kJ/mol	Joback Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	3.647		Crippen Calculated Property
McVol	231.240	ml/mol	McGowan Calculated Property
Inp	[2359.00; 2359.00]
Inp	2359.00		NIST
Inp	2359.00		NIST
Tfus	419.69	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 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	[761.43; 878.71]	J/mol×K	[833.99; 1083.50]
Cp,gas	761.43	J/mol×K	833.99	Joback Calculated Property
Cp,gas	781.95	J/mol×K	875.58	Joback Calculated Property
Cp,gas	801.79	J/mol×K	917.16	Joback Calculated Property
Cp,gas	821.15	J/mol×K	958.75	Joback Calculated Property
Cp,gas	840.27	J/mol×K	1000.33	Joback Calculated Property
Cp,gas	859.38	J/mol×K	1041.92	Joback Calculated Property
Cp,gas	878.71	J/mol×K	1083.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estrone, formate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.