Chemical Properties of Bicyclo[2.2.1]hept-2-ene, 2,3-dimethyl- (CAS 529-16-8)

InChI

InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3

InChI Key

LSIXBBPOJBJQHN-UHFFFAOYSA-N

Formula

C9H14

SMILES

CC1=C(C)C2CCC1C2

Molecular Weight¹

122.21

CAS

529-16-8

Other Names

• 2-Norbornene, 2,3-dimethyl-
• Santen
• Santene

• 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).
• IE : Ionization energy (eV).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.68	kJ/mol	Joback Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	111.650	ml/mol	McGowan Calculated Property
Inp	[863.00; 891.00]
Inp	880.00		NIST
Inp	887.00		NIST
Inp	887.00		NIST
Inp	890.00		NIST
Inp	885.30		NIST
Inp	876.00		NIST
Inp	Outlier 863.00		NIST
Inp	884.00		NIST
Inp	877.00		NIST
Inp	880.00		NIST
Inp	889.00		NIST
Inp	883.00		NIST
Inp	883.00		NIST
Inp	883.00		NIST
Inp	891.00		NIST
Inp	880.00		NIST
Inp	885.30		NIST
Ip	[984.00; 1018.00]
Ip	984.00		NIST
Ip	997.00		NIST
Ip	991.00		NIST
Ip	1000.00		NIST
Ip	1018.00		NIST
Ip	984.00		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, 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	[143.26; 407.52]	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			-7.45200e+01
Coefficient B			9.76040e-01
Coefficient C			-7.13000e-04
Coefficient D			2.19000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.26	J/mol×K	273.00	Calculated Property
Cp,gas	191.24	J/mol×K	353.78	Calculated Property
Cp,gas	232.95	J/mol×K	434.56	Calculated Property
Cp,gas	269.09	J/mol×K	515.33	Calculated Property
Cp,gas	300.33	J/mol×K	596.11	Calculated Property
Cp,gas	327.39	J/mol×K	676.89	Calculated Property
Cp,gas	350.94	J/mol×K	757.67	Calculated Property
Cp,gas	371.69	J/mol×K	838.44	Calculated Property
Cp,gas	390.31	J/mol×K	919.22	Calculated Property
Cp,gas	407.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006519; 0.0005079]	Pa×s	[249.35; 445.80]	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			-7.90225e+00
Coefficient B			1.41290e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			249.35
Temperature range, max.			445.80
η	0.0006519	Pa×s	249.35	Calculated Property
η	0.0006228	Pa×s	271.18	Calculated Property
η	0.0005991	Pa×s	293.01	Calculated Property
η	0.0005794	Pa×s	314.83	Calculated Property
η	0.0005628	Pa×s	336.66	Calculated Property
η	0.0005486	Pa×s	358.49	Calculated Property
η	0.0005363	Pa×s	380.32	Calculated Property
η	0.0005256	Pa×s	402.14	Calculated Property
η	0.0005162	Pa×s	423.97	Calculated Property
η	0.0005079	Pa×s	445.80	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-2-ene, 2,3-dimethyl-.

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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