Chemical Properties of DL-Valine, N-methyl-N-octyloxycarbonyl-, dodecyl ester

InChI

InChI=1S/C27H53NO4/c1-6-8-10-12-14-15-16-17-19-20-22-31-26(29)25(24(3)4)28(5)27(30)32-23-21-18-13-11-9-7-2/h24-25H,6-23H2,1-5H3

InChI Key

USEZDRZMLQTTFA-UHFFFAOYSA-N

Formula

C27H53NO4

SMILES

CCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCCCC

Molecular Weight¹

455.71

• 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°	-185.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1033.24	kJ/mol	Joback Calculated Property
ΔfusH°	67.24	kJ/mol	Joback Calculated Property
ΔvapH°	95.28	kJ/mol	Joback Calculated Property
log10WS	-8.27		Crippen Calculated Property
logPoct/wat	7.904		Crippen Calculated Property
McVol	416.150	ml/mol	McGowan Calculated Property
Pc	728.88	kPa	Joback Calculated Property
Inp	[2918.00; 2918.00]
Inp	2918.00		NIST
Inp	2918.00		NIST
Tboil	981.30	K	Joback Calculated Property
Tc	1212.75	K	Joback Calculated Property
Tfus	540.84	K	Joback Calculated Property
Vc	1.601	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1455.55; 1560.35]	J/mol×K	[981.30; 1212.75]
Cp,gas	1455.55	J/mol×K	981.30	Joback Calculated Property
Cp,gas	1477.49	J/mol×K	1019.88	Joback Calculated Property
Cp,gas	1497.54	J/mol×K	1058.45	Joback Calculated Property
Cp,gas	1515.78	J/mol×K	1097.03	Joback Calculated Property
Cp,gas	1532.28	J/mol×K	1135.60	Joback Calculated Property
Cp,gas	1547.11	J/mol×K	1174.18	Joback Calculated Property
Cp,gas	1560.35	J/mol×K	1212.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-octyloxycarbonyl-, dodecyl ester.

Sources

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

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