Chemical Properties of DL-Alanyl-DL-alanine, N,N'-methyl-N'-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester

InChI

InChI=1S/C29H52N2O5/c1-17(2)23-13-11-19(5)15-25(23)35-28(33)22(8)30(9)27(32)21(7)31(10)29(34)36-26-16-20(6)12-14-24(26)18(3)4/h17-26H,11-16H2,1-10H3

InChI Key

PDPLDBGYHDWEJM-UHFFFAOYSA-N

Formula

C29H52N2O5

SMILES

CC1CCC(C(C)C)C(OC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC2CC(C)CCC2C(C)C)C1

Molecular Weight¹

508.73

• 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	0.9066		Relay (1.0) Calculated Property
ΔfG°	-173.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-1300.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.94	kJ/mol	Joback Calculated Property
ΔvapH°	129.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	5.755		Crippen Calculated Property
McVol	434.160	ml/mol	McGowan Calculated Property
Pc	797.53	kPa	Joback Calculated Property
Inp	[3021.00; 3021.00]
Inp	3021.00		NIST
Inp	3021.00		NIST
Tboil	691.80	K	Relay (1.0) Calculated Property
Tc	948.69	K	Relay (1.0) Calculated Property
Tfus	362.84	K	Relay (1.0) Calculated Property
Vc	1.548	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1648.37; 1691.25]	J/mol×K	[1112.91; 1365.02]
Cp,gas	1648.37	J/mol×K	1112.91	Joback Calculated Property
Cp,gas	1662.70	J/mol×K	1154.93	Joback Calculated Property
Cp,gas	1674.05	J/mol×K	1196.95	Joback Calculated Property
Cp,gas	1682.50	J/mol×K	1238.96	Joback Calculated Property
Cp,gas	1688.13	J/mol×K	1280.98	Joback Calculated Property
Cp,gas	1691.03	J/mol×K	1323.00	Joback Calculated Property
Cp,gas	1691.25	J/mol×K	1365.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanyl-DL-alanine, N,N'-methyl-N'-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester.

Sources

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

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