Chemical Properties of Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methylene- (CAS 471-84-1)

InChI

InChI=1S/C10H16/c1-7-6-8-4-5-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

InChI Key

XCPQUQHBVVXMRQ-UHFFFAOYSA-N

Formula

C10H16

SMILES

C=C1CC2CCC1C2(C)C

Molecular Weight¹

136.23

CAS

471-84-1

Other Names

• Norbornane, 7,7-dimethyl-2-methylene-
• «alpha»-Fenchene
• Fenchene
• 7,7-Dimethyl-2-methylenenorbornane
• 7,7-Dimethyl-2-methylen-bicyclo(2,2,1)heptane
• Fenchene, Bicyclo[2.2.1]heptane,2-methylene 5,5-dimethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfusH°	9.44	kJ/mol	Joback Calculated Property
ΔvapH°	46.33	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	125.740	ml/mol	McGowan Calculated Property
Inp	[924.00; 965.20]
Inp	957.00		NIST
Inp	956.80		NIST
Inp	Outlier 965.20		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	941.00		NIST
Inp	958.00		NIST
Inp	951.00		NIST
Inp	950.00		NIST
Inp	941.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	942.00		NIST
Inp	953.00		NIST
Inp	951.00		NIST
Inp	949.00		NIST
Inp	953.00		NIST
Inp	951.00		NIST
Inp	959.00		NIST
Inp	950.00		NIST
Inp	940.00		NIST
Inp	942.00		NIST
Inp	952.00		NIST
Inp	944.00		NIST
Inp	951.00		NIST
Inp	940.00		NIST
Inp	948.00		NIST
Inp	942.00		NIST
Inp	951.00		NIST
Inp	943.00		NIST
Inp	953.00		NIST
Inp	944.00		NIST
Inp	944.00		NIST
Inp	943.00		NIST
Inp	948.00		NIST
Inp	951.00		NIST
Inp	Outlier 933.00		NIST
Inp	953.00		NIST
Inp	950.00		NIST
Inp	Outlier 933.00		NIST
Inp	937.00		NIST
Inp	937.00		NIST
Inp	942.00		NIST
Inp	944.00		NIST
Inp	946.00		NIST
Inp	937.00		NIST
Inp	945.00		NIST
Inp	953.90		NIST
Inp	942.00		NIST
Inp	949.30		NIST
Inp	949.00		NIST
Inp	942.00		NIST
Inp	Outlier 965.00		NIST
Inp	949.00		NIST
Inp	951.00		NIST
Inp	943.00		NIST
Inp	947.00		NIST
Inp	951.00		NIST
Inp	938.00		NIST
Inp	951.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	Outlier 925.00		NIST
Inp	944.00		NIST
Inp	939.00		NIST
Inp	940.90		NIST
Inp	944.00		NIST
Inp	949.00		NIST
Inp	946.00		NIST
Inp	943.00		NIST
Inp	950.00		NIST
Inp	950.00		NIST
Inp	951.00		NIST
Inp	947.00		NIST
Inp	953.00		NIST
Inp	950.00		NIST
Inp	951.00		NIST
Inp	948.00		NIST
Inp	943.00		NIST
Inp	947.00		NIST
Inp	Outlier 924.00		NIST
Inp	951.00		NIST
Inp	941.00		NIST
Inp	953.00		NIST
Inp	950.00		NIST
Inp	937.00		NIST
Inp	952.00		NIST
Inp	950.00		NIST
Inp	961.00		NIST
Inp	949.00		NIST
Inp	Outlier 930.00		NIST
Inp	959.00		NIST
Inp	945.00		NIST
Inp	949.00		NIST
Inp	948.00		NIST
Inp	949.00		NIST
Inp	950.00		NIST
Inp	947.00		NIST
Inp	952.00		NIST
Inp	940.00		NIST
Inp	938.00		NIST
Inp	951.00		NIST
Inp	940.00		NIST
Inp	948.00		NIST
Inp	949.00		NIST
Inp	952.00		NIST
Inp	948.00		NIST
Inp	951.00		NIST
Inp	942.00		NIST
Inp	944.00		NIST
Inp	953.00		NIST
Inp	953.90		NIST
Inp	957.00		NIST
Inp	943.00		NIST
Inp	939.00		NIST
Inp	947.00		NIST
Inp	950.00		NIST
Ip	[1044.00; 1089.70]
Ip	Outlier 1089.70		NIST
Ip	1070.70		NIST
Ip	1081.90		NIST
Ip	1052.00		NIST
Ip	1056.00		NIST
Ip	1068.00		NIST
Ip	1060.00		NIST
Ip	1046.00		NIST
Ip	1052.00		NIST
Ip	1060.00		NIST
Ip	1048.00		NIST
Ip	1059.00		NIST
Ip	1059.00		NIST
Ip	1054.00		NIST
Ip	1077.00		NIST
Ip	1045.00		NIST
Ip	1056.00		NIST
Ip	1059.00		NIST
Ip	1045.00		NIST
Ip	1060.00		NIST
Ip	1060.00		NIST
Ip	1060.00		NIST
Ip	1076.00		NIST
Ip	1060.00		NIST
Ip	1050.00		NIST
Ip	1060.00		NIST
Ip	1060.00		NIST
Ip	1060.00		NIST
Ip	1060.00		NIST
Ip	1060.00		NIST
Ip	1064.00		NIST
Ip	1054.00		NIST
Ip	1058.00		NIST
Ip	1052.00		NIST
Ip	1068.00		NIST
Ip	1064.00		NIST
Ip	1044.00		NIST
Ip	1070.00		NIST
Ip	1069.00		NIST
Ip	1060.00		NIST
Ip	1050.00		NIST
Ip	1059.00		NIST
Ip	1059.00		NIST
Ip	1059.00		NIST
Ip	1059.00		NIST
Ip	1057.00		NIST
Ip	1070.00		NIST
Ip	1056.00		NIST
Ip	1082.00		NIST
Ip	1076.00		NIST
Ip	1053.00		NIST
Ip	1062.00		NIST
Ip	Outlier 1084.00		NIST
Ip	Outlier 1084.00		NIST
Ip	Outlier 1084.00		NIST
Ip	1060.00		NIST
Ip	1073.00		NIST
Ip	1070.00		NIST
Ip	1054.00		NIST
Ip	1080.00		NIST
Ip	1072.00		NIST
Ip	1072.00		NIST
Ip	1072.00		NIST
Ip	1054.00		NIST
Tboil	440.70	K	Relay (1.0) Calculated Property
Tfus	248.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[160.69; 478.57]	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			-1.33570e+02
Coefficient B			1.39394e+00
Coefficient C			-1.29900e-03
Coefficient D			5.17200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.69	J/mol×K	273.00	Calculated Property
Cp,gas	219.89	J/mol×K	353.78	Calculated Property
Cp,gas	269.31	J/mol×K	434.56	Calculated Property
Cp,gas	310.58	J/mol×K	515.33	Calculated Property
Cp,gas	345.33	J/mol×K	596.11	Calculated Property
Cp,gas	375.20	J/mol×K	676.89	Calculated Property
Cp,gas	401.82	J/mol×K	757.67	Calculated Property
Cp,gas	426.84	J/mol×K	838.44	Calculated Property
Cp,gas	451.87	J/mol×K	919.22	Calculated Property
Cp,gas	478.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methylene-.

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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