Chemical Properties of Neocurdione (CAS 108944-67-8)

InChI

InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+

InChI Key

KDPFMRXIVDLQKX-IZZDOVSWSA-N

Formula

C15H24O2

SMILES

CC1=CCCC(C)C(=O)CC(C(C)C)C(=O)C1

Molecular Weight¹

236.35

CAS

108944-67-8

• 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°	-183.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-577.96	kJ/mol	Joback Calculated Property
ΔfusH°	15.44	kJ/mol	Joback Calculated Property
ΔvapH°	58.85	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	3.553		Crippen Calculated Property
McVol	210.190	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[1747.00; 1761.70]
Inp	1761.70		NIST
Inp	1747.00		NIST
Tboil	713.90	K	Joback Calculated Property
Tc	956.91	K	Joback Calculated Property
Tfus	382.59	K	Joback Calculated Property
Vc	0.769	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.90; 744.39]	J/mol×K	[713.90; 956.91]
Cp,gas	630.90	J/mol×K	713.90	Joback Calculated Property
Cp,gas	654.71	J/mol×K	754.40	Joback Calculated Property
Cp,gas	676.68	J/mol×K	794.90	Joback Calculated Property
Cp,gas	696.72	J/mol×K	835.40	Joback Calculated Property
Cp,gas	714.74	J/mol×K	875.90	Joback Calculated Property
Cp,gas	730.66	J/mol×K	916.41	Joback Calculated Property
Cp,gas	744.39	J/mol×K	956.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neocurdione.

Sources

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

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