Chemical Properties of Butylone, Ac

InChI

InChI=1S/C14H17NO4/c1-4-11(15(3)9(2)16)14(17)10-5-6-12-13(7-10)19-8-18-12/h5-7,11H,4,8H2,1-3H3

InChI Key

IYVFCTYHZFKZDA-UHFFFAOYSA-N

Formula

C14H17NO4

SMILES

CCC(C(=O)c1ccc2c(c1)OCO2)N(C)C(C)=O

Molecular Weight¹

263.29

• 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	0.6869		Relay (... Calculated Property
ΔfG°	-93.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.13	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.00	kJ/mol	Joback Calculated Property
ΔvapH°	93.18	kJ/mol	Relay (... Calculated Property
IE	8.03	eV	Relay (... Calculated Property
log10WS	-2.21		Relay (... Calculated Property
logPoct/wat	1.855		Crippen Calculated Property
McVol	198.360	ml/mol	McGowan Calculated Property
Pc	2540.49	kPa	Joback Calculated Property
Inp	[2215.00; 2215.00]
Inp	2215.00		NIST
Inp	2215.00		NIST
Tboil	613.21	K	Relay (... Calculated Property
Tc	857.22	K	Relay (... Calculated Property
Tfus	377.52	K	Relay (... Calculated Property
Vc	0.736	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.32; 636.39]	J/mol×K	[741.41; 962.09]
Cp,gas	567.32	J/mol×K	741.41	Joback Calculated Property
Cp,gas	580.97	J/mol×K	778.19	Joback Calculated Property
Cp,gas	593.66	J/mol×K	814.97	Joback Calculated Property
Cp,gas	605.47	J/mol×K	851.75	Joback Calculated Property
Cp,gas	616.47	J/mol×K	888.53	Joback Calculated Property
Cp,gas	626.75	J/mol×K	925.31	Joback Calculated Property
Cp,gas	636.39	J/mol×K	962.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butylone, Ac.

Sources

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

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