Chemical Properties of Bicyclo[2.2.1]heptane-2,5-dione, 1,7,7-trimethyl- (CAS 4230-32-4)

InChI

InChI=1S/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3

InChI Key

UDIUFGIXIGLRSM-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CC12CC(=O)C(CC1=O)C2(C)C

Molecular Weight¹

166.22

CAS

4230-32-4

Other Names

• 2,5-Bornanedione

• 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°	-121.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-375.55	kJ/mol	Joback Calculated Property
ΔfusH°	3.32	kJ/mol	Joback Calculated Property
ΔvapH°	43.73	kJ/mol	Joback Calculated Property
log10WS	-1.63		Crippen Calculated Property
logPoct/wat	1.581		Crippen Calculated Property
McVol	133.180	ml/mol	McGowan Calculated Property
Pc	3206.41	kPa	Joback Calculated Property
Inp	[1264.00; 1264.00]
Inp	1264.00		NIST
Inp	1264.00		NIST
Tboil	577.40	K	Joback Calculated Property
Tc	825.69	K	Joback Calculated Property
Tfus	414.82	K	Joback Calculated Property
Vc	0.510	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.19; 447.14]	J/mol×K	[577.40; 825.69]
Cp,gas	354.19	J/mol×K	577.40	Joback Calculated Property
Cp,gas	371.27	J/mol×K	618.78	Joback Calculated Property
Cp,gas	387.37	J/mol×K	660.16	Joback Calculated Property
Cp,gas	402.74	J/mol×K	701.54	Joback Calculated Property
Cp,gas	417.65	J/mol×K	742.93	Joback Calculated Property
Cp,gas	432.37	J/mol×K	784.31	Joback Calculated Property
Cp,gas	447.14	J/mol×K	825.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptane-2,5-dione, 1,7,7-trimethyl-.

Sources

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

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