Chemical Properties of Bicyclo[4.1.0]heptan-3-one, 4,7,7-trimethyl-, [1R-(1«alpha»,4«alpha»,6«alpha»)]- (CAS 4176-04-9)

InChI

InChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3

InChI Key

ABSCYWMYRVUUIC-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1CC2C(CC1=O)C2(C)C

Molecular Weight¹

152.23

CAS

4176-04-9

Other Names

• 4-Caranone, trans
• Caranone, trans-4-
• 4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one, (1R,4S,6S)-
• 4-Caranone
• [1R-(1«alpha»,4«alpha»,6«alpha»)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
• Caranone

• 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
ΔfG°	-0.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-273.43	kJ/mol	Joback Calculated Property
ΔfusH°	11.18	kJ/mol	Joback Calculated Property
ΔvapH°	40.33	kJ/mol	Joback Calculated Property
IE	9.74	eV	NIST
log10WS	-2.11		Crippen Calculated Property
logPoct/wat	2.258		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	2832.35	kPa	Joback Calculated Property
Inp	[1197.00; 1197.00]
Inp	1197.00		NIST
Inp	1197.00		NIST
Tboil	504.67	K	Joback Calculated Property
Tc	727.60	K	Joback Calculated Property
Tfus	318.46	K	Joback Calculated Property
Vc	0.504	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.94; 422.45]	J/mol×K	[504.67; 727.60]
Cp,gas	324.94	J/mol×K	504.67	Joback Calculated Property
Cp,gas	343.76	J/mol×K	541.83	Joback Calculated Property
Cp,gas	361.40	J/mol×K	578.98	Joback Calculated Property
Cp,gas	377.96	J/mol×K	616.14	Joback Calculated Property
Cp,gas	393.57	J/mol×K	653.29	Joback Calculated Property
Cp,gas	408.36	J/mol×K	690.45	Joback Calculated Property
Cp,gas	422.45	J/mol×K	727.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.1.0]heptan-3-one, 4,7,7-trimethyl-, [1R-(1«alpha»,4«alpha»,6«alpha»)]-.

Sources

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

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