Chemical Properties of 1,1'-Bicyclopropyl (CAS 5685-46-1)

InChI

InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2

InChI Key

PGPFRBIKUWKSTJ-UHFFFAOYSA-N

Formula

C6H10

SMILES

C1CC1C1CC1

Molecular Weight¹

82.14

CAS

5685-46-1

Other Names

• Bicyclopropyl
• Cyclopropane, cyclopropyl-

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3886.10 ± 3.30	kJ/mol	NIST
ΔfH°gas	130.00 ± 5.00	kJ/mol	NIST
ΔfH°liquid	96.00 ± 3.80	kJ/mol	NIST
ΔfusH°	7.57	kJ/mol	Joback Calculated Property
ΔvapH°	[31.70; 34.00]	kJ/mol
ΔvapH°	31.70 ± 0.50	kJ/mol	NIST
ΔvapH°	33.00 ± 1.00	kJ/mol	NIST
ΔvapH°	34.00	kJ/mol	NIST
IE	[8.80; 9.60]	eV
IE	8.90	eV	NIST
IE	9.12 ± 0.05	eV	NIST
IE	9.04	eV	NIST
IE	8.80 ± 0.02	eV	NIST
IE	9.50	eV	NIST
IE	9.60	eV	NIST
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	1.806		Crippen Calculated Property
McVol	73.680	ml/mol	McGowan Calculated Property
Pc	4249.61	kPa	Joback Calculated Property
Inp	[640.00; 646.20]
Inp	640.20		NIST
Inp	646.20		NIST
Inp	640.00		NIST
Inp	640.20		NIST
Tboil	349.25 ± 0.40	K	NIST
Tc	571.23	K	Relay (1.0) Calculated Property
Tfus	190.53 ± 0.30	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[85.88; 288.35]	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			-1.03050e+02
Coefficient B			8.75600e-01
Coefficient C			-7.43000e-04
Coefficient D			2.58800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	85.88	J/mol×K	273.00	Calculated Property
Cp,gas	125.18	J/mol×K	353.78	Calculated Property
Cp,gas	158.38	J/mol×K	434.56	Calculated Property
Cp,gas	186.28	J/mol×K	515.33	Calculated Property
Cp,gas	209.70	J/mol×K	596.11	Calculated Property
Cp,gas	229.47	J/mol×K	676.89	Calculated Property
Cp,gas	246.40	J/mol×K	757.67	Calculated Property
Cp,gas	261.31	J/mol×K	838.44	Calculated Property
Cp,gas	275.02	J/mol×K	919.22	Calculated Property
Cp,gas	288.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002476; 0.0003735]	Pa×s	[190.53; 382.01]	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			-7.48350e+00
Coefficient B			-1.56280e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			190.53
Temperature range, max.			382.01
η	0.0002476	Pa×s	190.53	Calculated Property
η	0.0002689	Pa×s	211.81	Calculated Property
η	0.0002876	Pa×s	233.08	Calculated Property
η	0.0003042	Pa×s	254.36	Calculated Property
η	0.0003189	Pa×s	275.63	Calculated Property
η	0.0003322	Pa×s	296.91	Calculated Property
η	0.0003441	Pa×s	318.19	Calculated Property
η	0.0003548	Pa×s	339.46	Calculated Property
η	0.0003646	Pa×s	360.74	Calculated Property
η	0.0003735	Pa×s	382.01	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Bicyclopropyl.

Sources

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

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