Chemical Properties of Sarcosine, N-(1-naphthoyl)-, butyl ester

InChI

InChI=1S/C18H21NO3/c1-3-4-12-22-17(20)13-19(2)18(21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3

InChI Key

TULXTVNLKGEGLJ-UHFFFAOYSA-N

Formula

C18H21NO3

SMILES

CCCCOC(=O)CN(C)C(=O)c1cccc2ccccc12

Molecular Weight¹

299.37

• 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	0.7943		Relay (1.0) Calculated Property
ΔfH°gas	-414.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.45	kJ/mol	Joback Calculated Property
ΔvapH°	102.55	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-3.84		Relay (1.0) Calculated Property
logPoct/wat	3.255		Crippen Calculated Property
McVol	240.250	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback Calculated Property
Inp	[2522.00; 2522.00]
Inp	2522.00		NIST
Inp	2522.00		NIST
Tboil	667.84	K	Relay (1.0) Calculated Property
Tc	911.35	K	Relay (1.0) Calculated Property
Tfus	331.04	K	Relay (1.0) Calculated Property
Vc	0.880	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.53; 775.87]	J/mol×K	[804.48; 1020.46]
Cp,gas	702.53	J/mol×K	804.48	Joback Calculated Property
Cp,gas	717.06	J/mol×K	840.48	Joback Calculated Property
Cp,gas	730.58	J/mol×K	876.47	Joback Calculated Property
Cp,gas	743.14	J/mol×K	912.47	Joback Calculated Property
Cp,gas	754.84	J/mol×K	948.47	Joback Calculated Property
Cp,gas	765.72	J/mol×K	984.47	Joback Calculated Property
Cp,gas	775.87	J/mol×K	1020.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, 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.