Chemical Properties of Sarcosine, N-cyclopropylcarbonyl-, isohexyl ester

InChI

InChI=1S/C13H23NO3/c1-10(2)5-4-8-17-12(15)9-14(3)13(16)11-6-7-11/h10-11H,4-9H2,1-3H3

InChI Key

LUMNSPBBMANNPI-UHFFFAOYSA-N

Formula

C13H23NO3

SMILES

CC(C)CCCOC(=O)CN(C)C(=O)C1CC1

Molecular Weight¹

241.33

• 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°	-135.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-533.98	kJ/mol	Joback Calculated Property
ΔfusH°	31.45	kJ/mol	Joback Calculated Property
ΔvapH°	62.00	kJ/mol	Joback Calculated Property
log10WS	-1.88		Crippen Calculated Property
logPoct/wat	1.834		Crippen Calculated Property
McVol	202.160	ml/mol	McGowan Calculated Property
Pc	2027.23	kPa	Joback Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Tboil	645.74	K	Joback Calculated Property
Tc	834.02	K	Joback Calculated Property
Tfus	393.77	K	Joback Calculated Property
Vc	0.762	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.44; 650.73]	J/mol×K	[645.74; 834.02]
Cp,gas	565.44	J/mol×K	645.74	Joback Calculated Property
Cp,gas	581.75	J/mol×K	677.12	Joback Calculated Property
Cp,gas	597.17	J/mol×K	708.50	Joback Calculated Property
Cp,gas	611.74	J/mol×K	739.88	Joback Calculated Property
Cp,gas	625.49	J/mol×K	771.26	Joback Calculated Property
Cp,gas	638.48	J/mol×K	802.64	Joback Calculated Property
Cp,gas	650.73	J/mol×K	834.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-cyclopropylcarbonyl-, isohexyl ester.

Sources

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

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