Chemical Properties of 1,10-seco-Aromadendran-1,10-dione

InChI

InChI=1S/C15H24O2/c1-9-5-8-12(17)13(9)14-11(15(14,3)4)7-6-10(2)16/h9,11,13-14H,5-8H2,1-4H3/t9-,11-,13+,14-/m0/s1

InChI Key

ZIRTVHDRHVNBGO-VMXABPDPSA-N

Formula

C15H24O2

SMILES

CC(=O)CCC1C(C2C(=O)CCC2C)C1(C)C

Molecular Weight¹

236.35

• 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.
• I : 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	0.5206		Relay (... Calculated Property
ΔfG°	-107.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.58	kJ/mol	Relay (... Calculated Property
ΔfusH°	24.70	kJ/mol	Joback Calculated Property
ΔvapH°	81.45	kJ/mol	Relay (... Calculated Property
IE	8.71	eV	Relay (... Calculated Property
log10WS	-3.42		Relay (... Calculated Property
logPoct/wat	3.243		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	1883.80	kPa	Joback Calculated Property
Inp	[1707.00; 1707.00]
Inp	1707.00		NIST
Inp	1707.00		NIST
I	[2448.00; 2448.00]
I	2448.00		NIST
I	2448.00		NIST
Tboil	561.36	K	Relay (... Calculated Property
Tc	800.48	K	Relay (... Calculated Property
Tfus	340.80	K	Relay (... Calculated Property
Vc	0.695	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.47; 723.35]	J/mol×K	[672.54; 890.95]
Cp,gas	610.47	J/mol×K	672.54	Joback Calculated Property
Cp,gas	631.53	J/mol×K	708.94	Joback Calculated Property
Cp,gas	651.55	J/mol×K	745.34	Joback Calculated Property
Cp,gas	670.62	J/mol×K	781.75	Joback Calculated Property
Cp,gas	688.87	J/mol×K	818.15	Joback Calculated Property
Cp,gas	706.40	J/mol×K	854.55	Joback Calculated Property
Cp,gas	723.35	J/mol×K	890.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,10-seco-Aromadendran-1,10-dione.

Sources

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

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