Chemical Properties of «beta»-Alanine, N-acryloyl-, octyl ester

InChI

InChI=1S/C14H25NO3/c1-3-5-6-7-8-9-12-18-14(17)10-11-15-13(16)4-2/h4H,2-3,5-12H2,1H3,(H,15,16)

InChI Key

QYDKMEPMIQMPBO-UHFFFAOYSA-N

Formula

C14H25NO3

SMILES

C=CC(=O)NCCC(=O)OCCCCCCCC

Molecular Weight¹

255.35

• 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).
• 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
ΔfG°	-118.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.77	kJ/mol	Joback Calculated Property
ΔfusH°	40.22	kJ/mol	Joback Calculated Property
ΔvapH°	68.43	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	2.582		Crippen Calculated Property
McVol	222.810	ml/mol	McGowan Calculated Property
Pc	1739.01	kPa	Joback Calculated Property
Inp	[2002.00; 2002.00]
Inp	2002.00		NIST
Inp	2002.00		NIST
Tboil	696.73	K	Joback Calculated Property
Tc	877.76	K	Joback Calculated Property
Tfus	420.53	K	Joback Calculated Property
Vc	0.866	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.12; 707.13]	J/mol×K	[696.73; 877.76]
Cp,gas	628.12	J/mol×K	696.73	Joback Calculated Property
Cp,gas	643.14	J/mol×K	726.90	Joback Calculated Property
Cp,gas	657.39	J/mol×K	757.07	Joback Calculated Property
Cp,gas	670.90	J/mol×K	787.24	Joback Calculated Property
Cp,gas	683.68	J/mol×K	817.41	Joback Calculated Property
Cp,gas	695.75	J/mol×K	847.58	Joback Calculated Property
Cp,gas	707.13	J/mol×K	877.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-acryloyl-, octyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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