Chemical Properties of African-1(5)-en-2,6-dione

InChI

InChI=1S/C15H20O2/c1-8-5-10(16)12-11(8)13(17)14(2,3)6-9-7-15(9,12)4/h8-9H,5-7H2,1-4H3/t8?,9-,15+/m1/s1

InChI Key

PUPACQJMSZEBOJ-QWTSGDGFSA-N

Formula

C15H20O2

SMILES

CC1CC(=O)C2=C1C(=O)C(C)(C)CC1CC21C

Molecular Weight¹

232.32

• 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).
• 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
ΔfG°	-19.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-377.27	kJ/mol	Joback Calculated Property
ΔfusH°	12.75	kJ/mol	Joback Calculated Property
ΔvapH°	56.57	kJ/mol	Joback Calculated Property
log10WS	-3.23		Crippen Calculated Property
logPoct/wat	2.917		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2300.32	kPa	Joback Calculated Property
Inp	[1644.00; 1644.00]
Inp	1644.00		NIST
Inp	1644.00		NIST
Tboil	711.93	K	Joback Calculated Property
Tc	962.62	K	Joback Calculated Property
Tfus	511.39	K	Joback Calculated Property
Vc	0.726	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.69; 698.35]	J/mol×K	[711.93; 962.62]
Cp,gas	575.69	J/mol×K	711.93	Joback Calculated Property
Cp,gas	596.40	J/mol×K	753.71	Joback Calculated Property
Cp,gas	616.60	J/mol×K	795.49	Joback Calculated Property
Cp,gas	636.59	J/mol×K	837.27	Joback Calculated Property
Cp,gas	656.67	J/mol×K	879.05	Joback Calculated Property
Cp,gas	677.15	J/mol×K	920.84	Joback Calculated Property
Cp,gas	698.35	J/mol×K	962.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to African-1(5)-en-2,6-dione.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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