Chemical Properties of Isonipecotic acid, N-methacryloyl-, heptyl ester

InChI

InChI=1S/C17H29NO3/c1-4-5-6-7-8-13-21-17(20)15-9-11-18(12-10-15)16(19)14(2)3/h15H,2,4-13H2,1,3H3

InChI Key

FXDDISBICIRDHN-UHFFFAOYSA-N

Formula

C17H29NO3

SMILES

C=C(C)C(=O)N1CCC(C(=O)OCCCCCCC)CC1

Molecular Weight¹

295.42

• 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
ΔvapH°	84.20	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	3.315		Crippen Calculated Property
McVol	254.220	ml/mol	McGowan Calculated Property
Pc	1368.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[2296.00; 2296.00]
Inp	2296.00		NIST
Inp	2296.00		NIST
Tboil	614.11	K	Relay (1.0) Calculated Property
Tc	821.72	K	Relay (1.0) Calculated Property
Tfus	310.96	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.

Similar Compounds

Find more compounds similar to Isonipecotic acid, N-methacryloyl-, heptyl ester.

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
• 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.