Chemical Properties of 2-Methyl-3-methylene-bicyclo[2.2.1]heptane, trans

InChI

InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h7-9H,1,3-5H2,2H3/t7-,8?,9?/m1/s1

InChI Key

ZKASMXOELCEADR-AFPNSQJFSA-N

Formula

C9H14

SMILES

C=C1C2CCC(C2)C1C

Molecular Weight¹

122.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	111.650	ml/mol	McGowan Calculated Property
Inp	[1005.00; 1005.00]
Inp	1005.00		NIST
Inp	1005.00		NIST
I	1075.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[143.40; 419.65]	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			-8.26700e+01
Coefficient B			1.00702e+00
Coefficient C			-7.12000e-04
Coefficient D			2.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.40	J/mol×K	273.00	Calculated Property
Cp,gas	193.66	J/mol×K	353.78	Calculated Property
Cp,gas	237.49	J/mol×K	434.56	Calculated Property
Cp,gas	275.57	J/mol×K	515.33	Calculated Property
Cp,gas	308.53	J/mol×K	596.11	Calculated Property
Cp,gas	337.04	J/mol×K	676.89	Calculated Property
Cp,gas	361.75	J/mol×K	757.67	Calculated Property
Cp,gas	383.32	J/mol×K	838.44	Calculated Property
Cp,gas	402.40	J/mol×K	919.22	Calculated Property
Cp,gas	419.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004793; 0.0005405]	Pa×s	[232.99; 433.05]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.38325e+00
Coefficient B			-6.05400e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			232.99
Temperature range, max.			433.05
η	0.0004793	Pa×s	232.99	Calculated Property
η	0.0004903	Pa×s	255.22	Calculated Property
η	0.0004997	Pa×s	277.45	Calculated Property
η	0.0005079	Pa×s	299.68	Calculated Property
η	0.0005150	Pa×s	321.91	Calculated Property
η	0.0005213	Pa×s	344.14	Calculated Property
η	0.0005269	Pa×s	366.37	Calculated Property
η	0.0005319	Pa×s	388.59	Calculated Property
η	0.0005364	Pa×s	410.82	Calculated Property
η	0.0005405	Pa×s	433.05	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-methylene-bicyclo[2.2.1]heptane, trans.

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

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