Chemical Properties of Phenetamine (CAS 3590-16-7)

InChI

InChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3

InChI Key

QDMORDTWFMWOFA-UHFFFAOYSA-N

Formula

C24H42N2

SMILES

CCN(CC)CC(CN(CC)CC)C(c1ccccc1)C1CCCCC1

Molecular Weight¹

358.60

CAS

3590-16-7

Other Names

• Feclemine

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.79	kJ/mol	Joback Calculated Property
logPoct/wat	5.650		Crippen Calculated Property
McVol	334.360	ml/mol	McGowan Calculated Property
Inp	[2213.00; 2275.00]
Inp	2250.00		NIST
Inp	2275.00		NIST
Inp	2213.00		NIST
Inp	2250.00		NIST
Tfus	254.22	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, 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	[1095.45; 1212.27]	J/mol×K	[818.95; 1023.34]
Cp,gas	1095.45	J/mol×K	818.95	Joback Calculated Property
Cp,gas	1118.36	J/mol×K	853.02	Joback Calculated Property
Cp,gas	1139.77	J/mol×K	887.08	Joback Calculated Property
Cp,gas	1159.78	J/mol×K	921.15	Joback Calculated Property
Cp,gas	1178.47	J/mol×K	955.21	Joback Calculated Property
Cp,gas	1195.94	J/mol×K	989.28	Joback Calculated Property
Cp,gas	1212.27	J/mol×K	1023.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenetamine.

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.