Chemical Properties of Bicyclopentyl-3,3'-diene

InChI

InChI=1S/C10H14/c1-2-6-9(5-1)10-7-3-4-8-10/h1-4,9-10H,5-8H2

InChI Key

HRVDKVCPNRGMTM-UHFFFAOYSA-N

Formula

C10H14

SMILES

C1=CCC(C2CC=CC2)C1

Molecular Weight¹

134.22

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ω	0.2621		Relay (1.0) Calculated Property
ΔfH°gas	65.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.97	kJ/mol	Joback Calculated Property
ΔvapH°	56.07	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
logPoct/wat	2.919		Crippen Calculated Property
McVol	121.440	ml/mol	McGowan Calculated Property
Pc	3280.28	kPa	Joback Calculated Property
Inp	[1041.00; 1070.00]
Inp	1041.00		NIST
Inp	1070.00		NIST
Inp	1041.00		NIST
Tboil	462.12	K	Relay (1.0) Calculated Property
Tc	650.58	K	Relay (1.0) Calculated Property
Tfus	284.91	K	Relay (1.0) Calculated Property
Vc	0.432	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[138.22; 439.23]	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			-1.11610e+02
Coefficient B			1.10520e+00
Coefficient C			-7.49560e-04
Coefficient D			1.95200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.22	J/mol×K	273.00	Calculated Property
Cp,gas	194.21	J/mol×K	353.78	Calculated Property
Cp,gas	243.13	J/mol×K	434.56	Calculated Property
Cp,gas	285.59	J/mol×K	515.33	Calculated Property
Cp,gas	322.21	J/mol×K	596.11	Calculated Property
Cp,gas	353.59	J/mol×K	676.89	Calculated Property
Cp,gas	380.37	J/mol×K	757.67	Calculated Property
Cp,gas	403.16	J/mol×K	838.44	Calculated Property
Cp,gas	422.57	J/mol×K	919.22	Calculated Property
Cp,gas	439.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027597; 0.0003498]	Pa×s	[225.78; 478.93]	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			-9.80050e+00
Coefficient B			8.82320e+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.			225.78
Temperature range, max.			478.93
η	0.0027597	Pa×s	225.78	Calculated Property
η	0.0017900	Pa×s	253.91	Calculated Property
η	0.0012657	Pa×s	282.04	Calculated Property
η	0.0009531	Pa×s	310.16	Calculated Property
η	0.0007523	Pa×s	338.29	Calculated Property
η	0.0006158	Pa×s	366.42	Calculated Property
η	0.0005187	Pa×s	394.55	Calculated Property
η	0.0004470	Pa×s	422.68	Calculated Property
η	0.0003924	Pa×s	450.81	Calculated Property
η	0.0003498	Pa×s	478.93	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclopentyl-3,3'-diene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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