Chemical Properties of 3-oxo-3,4-dihydro-actinidiolide

InChI

InChI=1S/C11H14O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4H,5-6H2,1-3H3/t11-/m0/s1

InChI Key

DJSMGUVSIWKZJW-NSHDSACASA-N

Formula

C11H14O3

SMILES

CC1(C)CC(=O)CC2(C)OC(=O)C=C12

Molecular Weight¹

194.23

• 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 : 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°	-195.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.86	kJ/mol	Joback Calculated Property
ΔfusH°	9.45	kJ/mol	Joback Calculated Property
ΔvapH°	52.08	kJ/mol	Joback Calculated Property
log10WS	-2.08		Crippen Calculated Property
logPoct/wat	1.617		Crippen Calculated Property
McVol	148.840	ml/mol	McGowan Calculated Property
Pc	3202.78	kPa	Joback Calculated Property
I	[2681.00; 2681.00]
I	2681.00		NIST
I	2681.00		NIST
Tboil	644.58	K	Joback Calculated Property
Tc	904.46	K	Joback Calculated Property
Tfus	463.14	K	Joback Calculated Property
Vc	0.558	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.98; 510.43]	J/mol×K	[644.58; 904.46]
Cp,gas	411.98	J/mol×K	644.58	Joback Calculated Property
Cp,gas	429.19	J/mol×K	687.89	Joback Calculated Property
Cp,gas	445.72	J/mol×K	731.21	Joback Calculated Property
Cp,gas	461.83	J/mol×K	774.52	Joback Calculated Property
Cp,gas	477.80	J/mol×K	817.83	Joback Calculated Property
Cp,gas	493.91	J/mol×K	861.14	Joback Calculated Property
Cp,gas	510.43	J/mol×K	904.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-oxo-3,4-dihydro-actinidiolide.

Sources

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

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