Chemical Properties of DL-Valine, N-methyl-N-hexyloxycarbonyl-, nonyl ester

InChI

InChI=1S/C22H43NO4/c1-6-8-10-12-13-14-16-17-26-21(24)20(19(3)4)23(5)22(25)27-18-15-11-9-7-2/h19-20H,6-18H2,1-5H3

InChI Key

IVTACBNDVRVDOX-UHFFFAOYSA-N

Formula

C22H43NO4

SMILES

CCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCC

Molecular Weight¹

385.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1062.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.28	kJ/mol	Joback Calculated Property
ΔvapH°	105.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	5.954		Crippen Calculated Property
McVol	345.700	ml/mol	McGowan Calculated Property
Pc	962.08	kPa	Joback Calculated Property
Inp	[2434.00; 2434.00]
Inp	2434.00		NIST
Inp	2434.00		NIST
Tboil	616.20	K	Relay (1.0) Calculated Property
Tc	808.08	K	Relay (1.0) Calculated Property
Tfus	280.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1137.05; 1234.66]	J/mol×K	[866.90; 1061.39]
Cp,gas	1137.05	J/mol×K	866.90	Joback Calculated Property
Cp,gas	1156.38	J/mol×K	899.32	Joback Calculated Property
Cp,gas	1174.44	J/mol×K	931.73	Joback Calculated Property
Cp,gas	1191.26	J/mol×K	964.15	Joback Calculated Property
Cp,gas	1206.88	J/mol×K	996.56	Joback Calculated Property
Cp,gas	1221.34	J/mol×K	1028.98	Joback Calculated Property
Cp,gas	1234.66	J/mol×K	1061.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-hexyloxycarbonyl-, nonyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
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