Chemical Properties of Bicyclo[2.1.0]pentane (CAS 185-94-4)

InChI

InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2

InChI Key

MHLPKAGDPWUOOT-UHFFFAOYSA-N

Formula

C5H8

SMILES

C1CC2CC12

Molecular Weight¹

68.12

CAS

185-94-4

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	158.00	kJ/mol	NIST
ΔfusH°	7.08	kJ/mol	Joback Calculated Property
ΔvapH°	28.00 ± 0.50	kJ/mol	NIST
IE	[8.70; 9.50]	eV
IE	8.70 ± 0.10	eV	NIST
IE	9.50 ± 0.10	eV	NIST
logPoct/wat	1.416		Crippen Calculated Property
McVol	59.590	ml/mol	McGowan Calculated Property
Tboil	318.60	K	NIST
Tfus	237.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[69.56; 234.98]	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			-9.70200e+01
Coefficient B			7.90200e-01
Coefficient C			-7.35000e-04
Coefficient D			2.76800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	69.56	J/mol×K	273.00	Calculated Property
Cp,gas	102.80	J/mol×K	353.78	Calculated Property
Cp,gas	130.28	J/mol×K	434.56	Calculated Property
Cp,gas	152.89	J/mol×K	515.33	Calculated Property
Cp,gas	171.48	J/mol×K	596.11	Calculated Property
Cp,gas	186.94	J/mol×K	676.89	Calculated Property
Cp,gas	200.15	J/mol×K	757.67	Calculated Property
Cp,gas	211.97	J/mol×K	838.44	Calculated Property
Cp,gas	223.29	J/mol×K	919.22	Calculated Property
Cp,gas	234.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000850; 0.0002826]	Pa×s	[185.51; 357.12]	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			-6.87274e+00
Coefficient B			-4.63810e+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.			185.51
Temperature range, max.			357.12
η	0.0000850	Pa×s	185.51	Calculated Property
η	0.0001073	Pa×s	204.58	Calculated Property
η	0.0001302	Pa×s	223.64	Calculated Property
η	0.0001532	Pa×s	242.71	Calculated Property
η	0.0001761	Pa×s	261.78	Calculated Property
η	0.0001986	Pa×s	280.85	Calculated Property
η	0.0002206	Pa×s	299.91	Calculated Property
η	0.0002420	Pa×s	318.98	Calculated Property
η	0.0002626	Pa×s	338.05	Calculated Property
η	0.0002826	Pa×s	357.12	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.1.0]pentane.

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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