Chemical Properties of N-butyl-tetrahydrocarbazole

InChI

InChI=1S/C16H21N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3

InChI Key

PCGUZWDQIOEQQC-UHFFFAOYSA-N

Formula

C16H21N

SMILES

CCCCn1c2c(c3ccccc31)CCCC2

Molecular Weight¹

227.34

• Δ_fH°_gas : Enthalpy of formation 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.
• I : 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
ΔfH°gas	24.21	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.320		Crippen Calculated Property
McVol	196.500	ml/mol	McGowan Calculated Property
Inp	[2016.00; 2016.00]
Inp	2016.00		NIST
Inp	2016.00		NIST
I	[2723.00; 2772.00]
I	2723.00		NIST
I	2772.00		NIST
I	2723.00		NIST
Tfus	309.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

Find more compounds similar to N-butyl-tetrahydrocarbazole.

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
• 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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