Chemical Properties of Curdione (CAS 13657-68-6)

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-WDZFZDKYSA-N

Formula

C15H24O2

SMILES

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

Molecular Weight¹

236.35

CAS

13657-68-6

Other Names

• 6,10-Dimethyl-3-(1-methylethyl)-6-cyclodecene-1,4-dione, (3S-(3R*,6E,10R*))-
• 3-Isopropyl-6,10-dimethyl-6-cyclodecene-1,4-dione, (3S-(3R*,6E,10R*))-
• 3S,6E,10S)-6,10-Dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
• Germacr-1(10)-ene-5,8-dione

• 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	0.4179		Relay (1.0) Calculated Property
ΔfG°	-183.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-449.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.44	kJ/mol	Joback Calculated Property
ΔvapH°	77.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-3.13		Relay (1.0) 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	[1689.00; 1726.00]
Inp	1689.00		NIST
Inp	1689.00		NIST
Inp	1725.20		NIST
Inp	1717.00		NIST
Inp	1689.00		NIST
Inp	1726.00		NIST
Inp	1689.00		NIST
Tboil	572.60	K	Relay (1.0) Calculated Property
Tc	787.84	K	Relay (1.0) Calculated Property
Tfus	376.49	K	Relay (1.0) Calculated Property
Vc	0.674	m3/kmol	Relay (1.0) 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 Curdione.

Sources

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

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