Chemical Properties of 1-Naphthamide, N-allyl-

InChI

InChI=1S/C14H13NO/c1-2-10-15-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2,(H,15,16)

InChI Key

MNDXIAYSFXOWKG-UHFFFAOYSA-N

Formula

C14H13NO

SMILES

C=CCNC(=O)c1cccc2ccccc12

Molecular Weight¹

211.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	42.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.11	kJ/mol	Joback Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	2.756		Crippen Calculated Property
McVol	172.150	ml/mol	McGowan Calculated Property
Inp	[2125.00; 2125.00]
Inp	2125.00		NIST
Inp	2125.00		NIST
Tboil	632.15	K	Relay (1.0) Calculated Property
Tfus	341.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.07; 526.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.77290e+01
Coefficient B			1.21990e+00
Coefficient C			-8.91480e-04
Coefficient D			2.55960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.07	J/mol×K	273.00	Calculated Property
Cp,gas	273.60	J/mol×K	353.78	Calculated Property
Cp,gas	325.04	J/mol×K	434.56	Calculated Property
Cp,gas	369.21	J/mol×K	515.33	Calculated Property
Cp,gas	406.90	J/mol×K	596.11	Calculated Property
Cp,gas	438.93	J/mol×K	676.89	Calculated Property
Cp,gas	466.12	J/mol×K	757.67	Calculated Property
Cp,gas	489.26	J/mol×K	838.44	Calculated Property
Cp,gas	509.16	J/mol×K	919.22	Calculated Property
Cp,gas	526.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthamide, N-allyl-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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