Chemical Properties of Sarcosine, n-cyclopropylcarbonyl-, octyl ester

InChI

InChI=1S/C15H27NO3/c1-3-4-5-6-7-8-11-19-14(17)12-16(2)15(18)13-9-10-13/h13H,3-12H2,1-2H3

InChI Key

FHOIWWRQOYXQJQ-UHFFFAOYSA-N

Formula

C15H27NO3

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)C1CC1

Molecular Weight¹

269.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.73	kJ/mol	Joback Calculated Property
ΔvapH°	86.80	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	2.758		Crippen Calculated Property
McVol	230.340	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	[2060.00; 2060.00]
Inp	2060.00		NIST
Inp	2060.00		NIST
Tboil	581.48	K	Relay (1.0) Calculated Property
Tc	791.02	K	Relay (1.0) Calculated Property
Tfus	290.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[666.81; 755.89]	J/mol×K	[674.07; 854.75]
Cp,gas	666.81	J/mol×K	674.07	Joback Calculated Property
Cp,gas	683.84	J/mol×K	704.18	Joback Calculated Property
Cp,gas	699.94	J/mol×K	734.30	Joback Calculated Property
Cp,gas	715.16	J/mol×K	764.41	Joback Calculated Property
Cp,gas	729.53	J/mol×K	794.52	Joback Calculated Property
Cp,gas	743.10	J/mol×K	824.64	Joback Calculated Property
Cp,gas	755.89	J/mol×K	854.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-cyclopropylcarbonyl-, octyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.