Chemical Properties of Glycine, N-methyl-N-ethoxycarbonyl-, isohexyl ester

InChI

InChI=1S/C12H23NO4/c1-5-16-12(15)13(4)9-11(14)17-8-6-7-10(2)3/h10H,5-9H2,1-4H3

InChI Key

QQPPHEBQJVKMNB-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

CCOC(=O)N(C)CC(=O)OCCCC(C)C

Molecular Weight¹

245.32

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-885.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.91	kJ/mol	Joback Calculated Property
ΔvapH°	78.12	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.054		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Inp	[1563.00; 1563.00]
Inp	1563.00		NIST
Inp	1563.00		NIST
Tboil	556.29	K	Relay (1.0) Calculated Property
Tc	721.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[554.86; 635.31]	J/mol×K	[638.54; 817.39]
Cp,gas	554.86	J/mol×K	638.54	Joback Calculated Property
Cp,gas	570.04	J/mol×K	668.35	Joback Calculated Property
Cp,gas	584.50	J/mol×K	698.16	Joback Calculated Property
Cp,gas	598.26	J/mol×K	727.96	Joback Calculated Property
Cp,gas	611.30	J/mol×K	757.77	Joback Calculated Property
Cp,gas	623.65	J/mol×K	787.58	Joback Calculated Property
Cp,gas	635.31	J/mol×K	817.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-N-ethoxycarbonyl-, isohexyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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