Chemical Properties of N,N'-Di-n-hexylsebacamide

InChI

InChI=1S/C22H44N2O2/c1-3-5-7-15-19-23-21(25)17-13-11-9-10-12-14-18-22(26)24-20-16-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

ANLFZJDBTDDXJA-UHFFFAOYSA-N

Formula

C22H44N2O2

SMILES

CCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCC

Molecular Weight¹

368.61

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1396		Relay (1.0) Calculated Property
ΔfH°gas	-794.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.13	kJ/mol	Joback Calculated Property
ΔvapH°	121.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	5.500		Crippen Calculated Property
McVol	343.940	ml/mol	McGowan Calculated Property
Pc	990.13	kPa	Joback Calculated Property
Tboil	633.02	K	Relay (1.0) Calculated Property
Tc	868.86	K	Relay (1.0) Calculated Property
Tfus	[415.00; 415.00]	K
Tfus	415.00 ± 1.00	K	NIST
Tfus	415.00 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	1064.10	J/mol×K	408.00	NIST
ΔfusH	[53.56; 53.68]	kJ/mol	[415.00; 415.00]
ΔfusH	53.56	kJ/mol	415.00	NIST
ΔfusH	53.68	kJ/mol	415.00	NIST
ΔfusH	53.68	kJ/mol	415.00	NIST
ΔfusS	[129.30; 129.30]	J/mol×K	[415.00; 415.00]
ΔfusS	129.30	J/mol×K	415.00	NIST
ΔfusS	129.30	J/mol×K	415.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[506.40; 1206.15]	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			-4.81200e+00
Coefficient B			2.19024e+00
Coefficient C			-1.23280e-03
Coefficient D			2.53520e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	506.40	J/mol×K	273.00	Calculated Property
Cp,gas	626.98	J/mol×K	353.78	Calculated Property
Cp,gas	734.97	J/mol×K	434.56	Calculated Property
Cp,gas	831.19	J/mol×K	515.33	Calculated Property
Cp,gas	916.44	J/mol×K	596.11	Calculated Property
Cp,gas	991.52	J/mol×K	676.89	Calculated Property
Cp,gas	1057.23	J/mol×K	757.67	Calculated Property
Cp,gas	1114.37	J/mol×K	838.44	Calculated Property
Cp,gas	1163.74	J/mol×K	919.22	Calculated Property
Cp,gas	1206.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N'-Di-n-hexylsebacamide.

Sources

• Cheméo Relay (1.0)
• 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.
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