Chemical Properties of Carbonic acid, monoamide, N-hept-2-yl-, propyl ester

InChI

InChI=1S/C11H23NO2/c1-4-6-7-8-10(3)12-11(13)14-9-5-2/h10H,4-9H2,1-3H3,(H,12,13)

InChI Key

QPEKOQBSDJHMCE-UHFFFAOYSA-N

Formula

C11H23NO2

SMILES

CCCCCC(C)NC(=O)OCCC

Molecular Weight¹

201.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.19	kJ/mol	Joback Calculated Property
ΔvapH°	74.15	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.30		Relay (1.0) Calculated Property
logPoct/wat	3.091		Crippen Calculated Property
McVol	183.270	ml/mol	McGowan Calculated Property
Pc	1978.82	kPa	Joback Calculated Property
Inp	[1529.00; 1529.00]
Inp	1529.00		NIST
Inp	1529.00		NIST
Tboil	509.21	K	Relay (1.0) Calculated Property
Tc	703.57	K	Relay (1.0) Calculated Property
Tfus	253.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[271.04; 632.37]	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			1.54060e+01
Coefficient B			1.07616e+00
Coefficient C			-5.31800e-04
Coefficient D			7.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.04	J/mol×K	273.00	Calculated Property
Cp,gas	332.78	J/mol×K	353.78	Calculated Property
Cp,gas	388.59	J/mol×K	434.56	Calculated Property
Cp,gas	438.69	J/mol×K	515.33	Calculated Property
Cp,gas	483.32	J/mol×K	596.11	Calculated Property
Cp,gas	522.70	J/mol×K	676.89	Calculated Property
Cp,gas	557.07	J/mol×K	757.67	Calculated Property
Cp,gas	586.65	J/mol×K	838.44	Calculated Property
Cp,gas	611.67	J/mol×K	919.22	Calculated Property
Cp,gas	632.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-hept-2-yl-, propyl ester.

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.
These property values are available through the Cheméo API. A free account gives you an access key.