Chemical Properties of Cyheptamide (CAS 7199-29-3)

InChI

InChI=1S/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18)

InChI Key

APBVLLORZMAWKI-UHFFFAOYSA-N

Formula

C16H15NO

SMILES

NC(=O)C1c2ccccc2CCc2ccccc21

Molecular Weight¹

237.30

CAS

7199-29-3

Other Names

• 5H-Dibenzo[a,d]cycloheptene-5-carboxamide, 10,11-dihydro-
• AY 8682
• BS 7029
• Cyheptamine
• Dibenzo(a,d)cycloheptadiene-5-carboxamide
• Dibenzo(a,d)(1,4)-cycloheptadiene-5-carboxamide
• 10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide
• ICI 51426
• Carbamazepam
• Cyhetamide

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion 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	0.6092		Relay (1.0) Calculated Property
ΔfG°	287.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-35.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.43	kJ/mol	Joback Calculated Property
ΔvapH°	87.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	189.470	ml/mol	McGowan Calculated Property
Pc	2853.57	kPa	Joback Calculated Property
Inp	[2266.00; 2358.80]
Inp	2358.80		NIST
Inp	2266.00		NIST
Inp	2358.80		NIST
Tboil	646.11	K	Relay (1.0) Calculated Property
Tc	960.01	K	Relay (1.0) Calculated Property
Tfus	478.29	K	Relay (1.0) Calculated Property
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.22; 611.22]	J/mol×K	[761.94; 1020.72]
Cp,gas	536.22	J/mol×K	761.94	Joback Calculated Property
Cp,gas	551.42	J/mol×K	805.07	Joback Calculated Property
Cp,gas	565.37	J/mol×K	848.20	Joback Calculated Property
Cp,gas	578.18	J/mol×K	891.33	Joback Calculated Property
Cp,gas	590.01	J/mol×K	934.46	Joback Calculated Property
Cp,gas	600.97	J/mol×K	977.59	Joback Calculated Property
Cp,gas	611.22	J/mol×K	1020.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyheptamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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