Chemical Properties of jensenone

InChI

InChI=1S/C13H14O6/c1-6(2)3-9(16)10-12(18)7(4-14)11(17)8(5-15)13(10)19/h4-6,17-19H,3H2,1-2H3

InChI Key

LGXKQDDWMRYQJK-UHFFFAOYSA-N

Formula

C13H14O6

SMILES

CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C=O)c1O

Molecular Weight¹

266.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-642.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-919.01	kJ/mol	Joback Calculated Property
ΔfusH°	42.69	kJ/mol	Joback Calculated Property
ΔvapH°	106.97	kJ/mol	Joback Calculated Property
log10WS	-2.27		Crippen Calculated Property
logPoct/wat	1.657		Crippen Calculated Property
McVol	192.590	ml/mol	McGowan Calculated Property
Pc	4450.38	kPa	Joback Calculated Property
Inp	[1839.00; 1839.00]
Inp	1839.00		NIST
Inp	1839.00		NIST
Tboil	926.09	K	Joback Calculated Property
Tc	1164.78	K	Joback Calculated Property
Tfus	741.82	K	Joback Calculated Property
Vc	0.588	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[582.04; 661.69]	J/mol×K	[926.09; 1164.78]
Cp,gas	582.04	J/mol×K	926.09	Joback Calculated Property
Cp,gas	593.55	J/mol×K	965.87	Joback Calculated Property
Cp,gas	605.52	J/mol×K	1005.65	Joback Calculated Property
Cp,gas	618.12	J/mol×K	1045.43	Joback Calculated Property
Cp,gas	631.56	J/mol×K	1085.21	Joback Calculated Property
Cp,gas	646.01	J/mol×K	1125.00	Joback Calculated Property
Cp,gas	661.69	J/mol×K	1164.78	Joback Calculated Property
η	[1.7369562e-08; 0.0000002]	Pa×s	[741.82; 926.09]
η	0.0000002	Pa×s	741.82	Joback Calculated Property
η	0.0000001	Pa×s	772.53	Joback Calculated Property
η	8.5812367e-08	Pa×s	803.24	Joback Calculated Property
η	5.5074177e-08	Pa×s	833.95	Joback Calculated Property
η	3.6477748e-08	Pa×s	864.67	Joback Calculated Property
η	2.4853182e-08	Pa×s	895.38	Joback Calculated Property
η	1.7369562e-08	Pa×s	926.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to jensenone.

Sources

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

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