Chemical Properties of DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, heptyl ester

InChI

InChI=1S/C16H29NO4/c1-5-7-9-10-11-13-20-15(18)14(3)17(4)16(19)21-12-8-6-2/h6,14H,2,5,7-13H2,1,3-4H3

InChI Key

WWWKZUKESDFZMR-UHFFFAOYSA-N

Formula

C16H29NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCC

Molecular Weight¹

299.41

• 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	0.8221		Relay (1.0) Calculated Property
ΔfG°	-187.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-851.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.99	kJ/mol	Joback Calculated Property
ΔvapH°	86.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	3.533		Crippen Calculated Property
McVol	256.860	ml/mol	McGowan Calculated Property
Pc	1463.49	kPa	Joback Calculated Property
Inp	[1934.00; 1934.00]
Inp	1934.00		NIST
Inp	1934.00		NIST
Tboil	598.10	K	Relay (1.0) Calculated Property
Tc	763.72	K	Relay (1.0) Calculated Property
Tfus	254.16	K	Relay (1.0) Calculated Property
Vc	0.940	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.62; 836.48]	J/mol×K	[726.74; 906.22]
Cp,gas	750.62	J/mol×K	726.74	Joback Calculated Property
Cp,gas	767.04	J/mol×K	756.65	Joback Calculated Property
Cp,gas	782.60	J/mol×K	786.57	Joback Calculated Property
Cp,gas	797.31	J/mol×K	816.48	Joback Calculated Property
Cp,gas	811.18	J/mol×K	846.39	Joback Calculated Property
Cp,gas	824.23	J/mol×K	876.31	Joback Calculated Property
Cp,gas	836.48	J/mol×K	906.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, heptyl ester.

Sources

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

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