Chemical Properties of farmocaine

InChI

InChI=1S/C17H28N2O2/c1-4-7-12-18-16-10-8-15(9-11-16)17(20)21-14-13-19(5-2)6-3/h8-11,18H,4-7,12-14H2,1-3H3

InChI Key

JQMCLLAJJLVYOC-UHFFFAOYSA-N

Formula

C17H28N2O2

SMILES

CCCCNc1ccc(C(=O)OCCN(CC)CC)cc1

Molecular Weight¹

292.42

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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	0.8493		Relay (1.0) Calculated Property
ΔfusH°	45.93	kJ/mol	Joback Calculated Property
IE	7.40	eV	Relay (1.0) Calculated Property
log10WS	-3.51		Relay (1.0) Calculated Property
logPoct/wat	3.397		Crippen Calculated Property
McVol	254.030	ml/mol	McGowan Calculated Property
Pc	1577.21	kPa	Joback Calculated Property
Inp	[2350.00; 2375.00]
Inp	2350.00		NIST
Inp	2375.00		NIST
Tboil	635.85	K	Relay (1.0) Calculated Property
Tc	832.03	K	Relay (1.0) Calculated Property
Tfus	299.33	K	Relay (1.0) Calculated Property
Vc	0.914	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[748.69; 835.55]	J/mol×K	[741.05; 933.66]
Cp,gas	748.69	J/mol×K	741.05	Joback Calculated Property
Cp,gas	765.67	J/mol×K	773.15	Joback Calculated Property
Cp,gas	781.60	J/mol×K	805.25	Joback Calculated Property
Cp,gas	796.51	J/mol×K	837.36	Joback Calculated Property
Cp,gas	810.45	J/mol×K	869.46	Joback Calculated Property
Cp,gas	823.45	J/mol×K	901.56	Joback Calculated Property
Cp,gas	835.55	J/mol×K	933.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to farmocaine.

Sources

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

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