Chemical Properties of DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, octadecyl ester

InChI

InChI=1S/C29H55NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-33-28(31)27(26(3)4)30(5)29(32)34-24-9-7-2/h7,26-27H,2,6,8-25H2,1,3-5H3

InChI Key

VLBCTTLUAYFKQS-UHFFFAOYSA-N

Formula

C29H55NO4

SMILES

C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCCCCC)C(C)C

Molecular Weight¹

481.75

• 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°	-80.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-949.09	kJ/mol	Joback Calculated Property
ΔfusH°	71.14	kJ/mol	Joback Calculated Property
ΔvapH°	99.06	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	8.460		Crippen Calculated Property
McVol	440.030	ml/mol	McGowan Calculated Property
Pc	673.25	kPa	Joback Calculated Property
Inp	[3169.00; 3169.00]
Inp	3169.00		NIST
Inp	3169.00		NIST
Tboil	1023.74	K	Joback Calculated Property
Tc	1274.52	K	Joback Calculated Property
Tfus	561.62	K	Joback Calculated Property
Vc	1.694	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1554.97; 1661.64]	J/mol×K	[1023.74; 1274.52]
Cp,gas	1554.97	J/mol×K	1023.74	Joback Calculated Property
Cp,gas	1577.65	J/mol×K	1065.54	Joback Calculated Property
Cp,gas	1598.22	J/mol×K	1107.33	Joback Calculated Property
Cp,gas	1616.79	J/mol×K	1149.13	Joback Calculated Property
Cp,gas	1633.47	J/mol×K	1190.93	Joback Calculated Property
Cp,gas	1648.39	J/mol×K	1232.73	Joback Calculated Property
Cp,gas	1661.64	J/mol×K	1274.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, octadecyl ester.

Sources

• 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.