Chemical Properties of Pholedrine, 2AC

InChI

InChI=1S/C14H19NO3/c1-10(15(4)11(2)16)9-13-5-7-14(8-6-13)18-12(3)17/h5-8,10H,9H2,1-4H3

InChI Key

LHRIFRWWZCLXIB-UHFFFAOYSA-N

Formula

C14H19NO3

SMILES

CC(=O)Oc1ccc(CC(C)N(C)C(C)=O)cc1

Molecular Weight¹

249.31

• ω : Acentric Factor.
• 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).
• 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	0.6701		Relay (1.0) Calculated Property
ΔfG°	-84.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-521.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.55	kJ/mol	Joback Calculated Property
ΔvapH°	88.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-1.65		Relay (1.0) Calculated Property
logPoct/wat	2.021		Crippen Calculated Property
McVol	203.350	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[1995.00; 1995.00]
Inp	1995.00		NIST
Inp	1995.00		NIST
Tboil	592.78	K	Relay (1.0) Calculated Property
Tc	793.75	K	Relay (1.0) Calculated Property
Tfus	353.58	K	Relay (1.0) Calculated Property
Vc	0.729	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.94; 629.89]	J/mol×K	[693.54; 902.41]
Cp,gas	552.94	J/mol×K	693.54	Joback Calculated Property
Cp,gas	568.13	J/mol×K	728.35	Joback Calculated Property
Cp,gas	582.34	J/mol×K	763.16	Joback Calculated Property
Cp,gas	595.58	J/mol×K	797.98	Joback Calculated Property
Cp,gas	607.91	J/mol×K	832.79	Joback Calculated Property
Cp,gas	619.33	J/mol×K	867.60	Joback Calculated Property
Cp,gas	629.89	J/mol×K	902.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pholedrine, 2AC.

Sources

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

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