Chemical Properties of Propanamide, 3-cyclopentyl-N-(hept-2-yl)-

InChI

InChI=1S/C15H29NO/c1-3-4-5-8-13(2)16-15(17)12-11-14-9-6-7-10-14/h13-14H,3-12H2,1-2H3,(H,16,17)

InChI Key

JXODAYBHLJGKHW-UHFFFAOYSA-N

Formula

C15H29NO

SMILES

CCCCCC(C)NC(=O)CCC1CCCC1

Molecular Weight¹

239.40

• 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	0.6704		Relay (1.0) Calculated Property
ΔfG°	70.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-485.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.72	kJ/mol	Joback Calculated Property
ΔvapH°	84.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	4.042		Crippen Calculated Property
McVol	222.900	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[1898.00; 1898.00]
Inp	1898.00		NIST
Inp	1898.00		NIST
Tboil	581.06	K	Relay (1.0) Calculated Property
Tc	800.49	K	Relay (1.0) Calculated Property
Tfus	274.52	K	Relay (1.0) Calculated Property
Vc	0.813	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.26; 802.94]	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			-6.67640e+01
Coefficient B			1.61464e+00
Coefficient C			-9.52700e-04
Coefficient D			2.07760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	307.26	J/mol×K	273.00	Calculated Property
Cp,gas	394.42	J/mol×K	353.78	Calculated Property
Cp,gas	472.03	J/mol×K	434.56	Calculated Property
Cp,gas	540.74	J/mol×K	515.33	Calculated Property
Cp,gas	601.21	J/mol×K	596.11	Calculated Property
Cp,gas	654.10	J/mol×K	676.89	Calculated Property
Cp,gas	700.05	J/mol×K	757.67	Calculated Property
Cp,gas	739.74	J/mol×K	838.44	Calculated Property
Cp,gas	773.82	J/mol×K	919.22	Calculated Property
Cp,gas	802.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, 3-cyclopentyl-N-(hept-2-yl)-.

Sources

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

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