Chemical Properties of Fenchone (CAS 126-21-6)

InChI

InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3

InChI Key

LHXDLQBQYFFVNW-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC12CCC(C1)C(C)(C)C2=O

Molecular Weight¹

152.23

CAS

126-21-6

Other Names

• Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-
• 2-Norbornanone, 1,3,3-trimethyl-
• 1,3,3-Trimethyl-2-norbornanone
• 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one
• 1,3,3-Trimethylnorcamphor
• Bicyclo[2.2.1]heptane-2-one,1,3,3-trimethyl
• Fenchon
• 1,3,3-Trimethyl-2-norcamphanone
• dl-Fenchone
• NSC 122687
• (.+/-.)-Fenchone
• NSC 8896
• 3,3-dimethyl-8,9-dinorbornan-2-one
• l-fenchone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-213.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	3.81	kJ/mol	Joback Calculated Property
ΔvapH°	50.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Inp	[181.31; 1106.00]
Inp	1084.10		NIST
Inp	1088.00		NIST
Inp	1087.00		NIST
Inp	1084.00		NIST
Inp	1090.00		NIST
Inp	1087.00		NIST
Inp	1088.00		NIST
Inp	1070.00		NIST
Inp	1080.00		NIST
Inp	1102.00		NIST
Inp	1087.00		NIST
Inp	1087.00		NIST
Inp	1097.00		NIST
Inp	1088.00		NIST
Inp	1067.00		NIST
Inp	1088.00		NIST
Inp	1066.00		NIST
Inp	1086.00		NIST
Inp	1069.00		NIST
Inp	1069.00		NIST
Inp	1067.00		NIST
Inp	1066.00		NIST
Inp	1088.00		NIST
Inp	1088.00		NIST
Inp	1087.00		NIST
Inp	1095.00		NIST
Inp	1080.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1071.00		NIST
Inp	1078.00		NIST
Inp	1066.00		NIST
Inp	1080.40		NIST
Inp	1086.00		NIST
Inp	1060.00		NIST
Inp	1087.00		NIST
Inp	1080.00		NIST
Inp	1072.00		NIST
Inp	1072.00		NIST
Inp	1092.00		NIST
Inp	1092.00		NIST
Inp	1106.00		NIST
Inp	1087.00		NIST
Inp	1071.00		NIST
Inp	1065.00		NIST
Inp	1069.00		NIST
Inp	1090.00		NIST
Inp	1084.00		NIST
Inp	1090.00		NIST
Inp	1091.00		NIST
Inp	1069.00		NIST
Inp	1063.00		NIST
Inp	1088.00		NIST
Inp	1088.00		NIST
Inp	1085.00		NIST
Inp	1090.00		NIST
Inp	1074.00		NIST
Inp	1075.00		NIST
Inp	1087.00		NIST
Inp	1081.00		NIST
Inp	1052.00		NIST
Inp	1089.00		NIST
Inp	1073.00		NIST
Inp	1057.00		NIST
Inp	1075.00		NIST
Inp	1060.00		NIST
Inp	1087.00		NIST
Inp	1093.00		NIST
Inp	1085.00		NIST
Inp	1078.00		NIST
Inp	1080.00		NIST
Inp	1071.00		NIST
Inp	1087.00		NIST
Inp	1076.00		NIST
Inp	1088.00		NIST
Inp	1087.00		NIST
Inp	1090.00		NIST
Inp	1099.00		NIST
Inp	1066.00		NIST
Inp	1070.00		NIST
Inp	1086.00		NIST
Inp	1086.00		NIST
Inp	1064.00		NIST
Inp	1078.00		NIST
Inp	1088.00		NIST
Inp	1083.00		NIST
Inp	1067.00		NIST
Inp	1058.00		NIST
Inp	1069.00		NIST
Inp	1086.00		NIST
Inp	1080.00		NIST
Inp	1076.00		NIST
Inp	1072.00		NIST
Inp	1075.00		NIST
Inp	1072.00		NIST
Inp	1072.00		NIST
Inp	1083.00		NIST
Inp	1067.00		NIST
Inp	1050.00		NIST
Inp	1089.00		NIST
Inp	1065.00		NIST
Inp	1087.00		NIST
Inp	1090.00		NIST
Inp	1085.00		NIST
Inp	1087.00		NIST
Inp	1087.00		NIST
Inp	1090.00		NIST
Inp	1071.00		NIST
Inp	1080.00		NIST
Inp	1077.00		NIST
Inp	1067.00		NIST
Inp	1050.00		NIST
Inp	1087.00		NIST
Inp	1068.00		NIST
Inp	1080.00		NIST
Inp	1067.00		NIST
Inp	1077.00		NIST
Inp	Outlier 181.31		NIST
Inp	1084.00		NIST
Inp	1088.00		NIST
Inp	1075.00		NIST
Inp	1073.00		NIST
Inp	1093.00		NIST
Inp	1087.00		NIST
Inp	1099.00		NIST
Inp	1064.00		NIST
Inp	1058.00		NIST
Inp	1072.00		NIST
Inp	1067.00		NIST
Inp	1050.00		NIST
Inp	1085.00		NIST
Inp	1080.00		NIST
Inp	1068.00		NIST
Ip	[1383.00; 1432.00]
Ip	1391.00		NIST
Ip	1396.00		NIST
Ip	1427.00		NIST
Ip	1400.00		NIST
Ip	1389.00		NIST
Ip	1389.00		NIST
Ip	1395.00		NIST
Ip	1385.00		NIST
Ip	1401.00		NIST
Ip	1422.00		NIST
Ip	1410.00		NIST
Ip	1396.00		NIST
Ip	1391.00		NIST
Ip	1392.00		NIST
Ip	1426.00		NIST
Ip	1405.00		NIST
Ip	1392.00		NIST
Ip	1388.00		NIST
Ip	1398.00		NIST
Ip	1410.00		NIST
Ip	1414.00		NIST
Ip	1383.00		NIST
Ip	1397.00		NIST
Ip	1410.00		NIST
Ip	1397.00		NIST
Ip	1410.00		NIST
Ip	1402.00		NIST
Ip	1391.00		NIST
Ip	1390.00		NIST
Ip	1407.00		NIST
Ip	Outlier 1432.00		NIST
Ip	Outlier 1432.00		NIST
Ip	1410.00		NIST
Ip	1410.00		NIST
Ip	1406.00		NIST
Ip	1406.00		NIST
Ip	1406.00		NIST
Ip	1403.00		NIST
Ip	1410.00		NIST
Ip	1426.00		NIST
Ip	1410.00		NIST
Ip	1397.00		NIST
Ip	1407.00		NIST
Ip	1396.00		NIST
Ip	1395.00		NIST
Tboil	466.20 ± 1.00	K	NIST
Tfus	336.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.62; 516.94]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.69420e+02
Coefficient B			1.63506e+00
Coefficient C			-1.68000e-03
Coefficient D			7.31300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.62	J/mol×K	273.00	Calculated Property
Cp,gas	231.14	J/mol×K	353.78	Calculated Property
Cp,gas	283.87	J/mol×K	434.56	Calculated Property
Cp,gas	327.11	J/mol×K	515.33	Calculated Property
Cp,gas	363.18	J/mol×K	596.11	Calculated Property
Cp,gas	394.40	J/mol×K	676.89	Calculated Property
Cp,gas	423.07	J/mol×K	757.67	Calculated Property
Cp,gas	451.51	J/mol×K	838.44	Calculated Property
Cp,gas	482.03	J/mol×K	919.22	Calculated Property
Cp,gas	516.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fenchone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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