Chemical Properties of Sarcosylsarcosine, n-butoxycarbonyl-, butyl ester

InChI

InChI=1S/C15H28N2O5/c1-5-7-9-21-14(19)12-16(3)13(18)11-17(4)15(20)22-10-8-6-2/h5-12H2,1-4H3

InChI Key

LIFSRIBRQMAORB-UHFFFAOYSA-N

Formula

C15H28N2O5

SMILES

CCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OCCCC

Molecular Weight¹

316.39

• ω : Acentric Factor.
• 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).
• 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	0.9258		Relay (1.0) Calculated Property
ΔfH°gas	-1021.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.98	kJ/mol	Joback Calculated Property
ΔvapH°	93.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-1.65		Relay (1.0) Calculated Property
logPoct/wat	1.657		Crippen Calculated Property
McVol	258.620	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tboil	593.05	K	Relay (1.0) Calculated Property
Tc	789.43	K	Relay (1.0) Calculated Property
Tfus	272.54	K	Relay (1.0) Calculated Property
Vc	0.994	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.30; 874.49]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.60480e+01
Coefficient B			1.53908e+00
Coefficient C			-8.09500e-04
Coefficient D			1.18860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	388.30	J/mol×K	273.00	Calculated Property
Cp,gas	474.49	J/mol×K	353.78	Calculated Property
Cp,gas	551.75	J/mol×K	434.56	Calculated Property
Cp,gas	620.48	J/mol×K	515.33	Calculated Property
Cp,gas	681.03	J/mol×K	596.11	Calculated Property
Cp,gas	733.80	J/mol×K	676.89	Calculated Property
Cp,gas	779.15	J/mol×K	757.67	Calculated Property
Cp,gas	817.47	J/mol×K	838.44	Calculated Property
Cp,gas	849.12	J/mol×K	919.22	Calculated Property
Cp,gas	874.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosylsarcosine, n-butoxycarbonyl-, butyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.