Chemical Properties of 1,2,3,4-Tetrahydro-N-methylcarbazole (CAS 6303-88-4)

InChI

InChI=1S/C13H15N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6,8H,3,5,7,9H2,1H3

InChI Key

LXRZSWPAXJBXQM-UHFFFAOYSA-N

Formula

C13H15N

SMILES

Cn1c2c(c3ccccc31)CCCC2

Molecular Weight¹

185.26

CAS

6303-88-4

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4989		Relay (1.0) Calculated Property
ΔcH°solid	-7258.30 ± 1.10	kJ/mol	NIST
ΔfG°	284.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	93.10 ± 0.30	kJ/mol	NIST
ΔfH°solid	-1.00 ± 1.30	kJ/mol	NIST
ΔsubH°	94.10	kJ/mol	NIST
ΔvapH°	78.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.35	eV	Relay (1.0) Calculated Property
log10WS	-3.30		Relay (1.0) Calculated Property
logPoct/wat	3.057		Crippen Calculated Property
McVol	154.230	ml/mol	McGowan Calculated Property
Pc	2733.78	kPa	Relay (1.0-beta) Calculated Property
S°solid,1 bar	[260.89; 260.89]	J/mol×K
S°solid,1 bar	260.89	J/mol×K	NIST
S°solid,1 bar	260.89	J/mol×K	NIST
Tboil	596.72	K	Relay (1.0) Calculated Property
Tc	850.34	K	Relay (1.0) Calculated Property
Tfus	337.10	K	Relay (1.0) Calculated Property
Ttriple	323.71 ± 0.01	K	NIST
Vc	0.585	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[241.35; 241.35]	J/mol×K	[298.15; 298.15]
Cp,solid	241.35	J/mol×K	298.15	NIST
Cp,solid	241.35	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to 1,2,3,4-Tetrahydro-N-methylcarbazole.

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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