Chemical Properties of 7-Isopentenylindole

InChI

InChI=1S/C13H15N/c1-10(2)6-7-11-4-3-5-12-8-9-14-13(11)12/h3-6,8-9,14H,7H2,1-2H3

InChI Key

SUZRQQRDPSVXEC-UHFFFAOYSA-N

Formula

C13H15N

SMILES

CC(C)=CCc1cccc2cc[nH]c12

Molecular Weight¹

185.26

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4536		Relay (... Calculated Property
ΔfG°	297.77	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	136.26	kJ/mol	Relay (... Calculated Property
ΔvapH°	81.86	kJ/mol	Relay (... Calculated Property
IE	7.45	eV	Relay (... Calculated Property
log10WS	-4.41		Relay (... Calculated Property
logPoct/wat	3.195		Crippen Calculated Property
McVol	160.790	ml/mol	McGowan Calculated Property
Pc	2791.98	kPa	Relay (... Calculated Property ⚠️
Inp	[1775.00; 1775.00]
Inp	1775.00		NIST
Inp	1775.00		NIST
Tboil	593.81	K	Relay (... Calculated Property
Tc	826.51	K	Relay (... Calculated Property
Tfus	327.99	K	Relay (... Calculated Property
Vc	0.588	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 7-Isopentenylindole.

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

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