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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3886.10 ± 3.30	kJ/mol	NIST
ΔfG°	121.14	kJ/mol	Joback Calculated Property
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	-1.64		Crippen 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	545.42	K	Joback Calculated Property
Tfus	190.53 ± 0.30	K	NIST
Vc	0.285	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.56; 195.48]	J/mol×K	[350.16; 545.42]
Cp,gas	123.56	J/mol×K	350.16	Joback Calculated Property
Cp,gas	137.73	J/mol×K	382.70	Joback Calculated Property
Cp,gas	150.96	J/mol×K	415.25	Joback Calculated Property
Cp,gas	163.29	J/mol×K	447.79	Joback Calculated Property
Cp,gas	174.79	J/mol×K	480.33	Joback Calculated Property
Cp,gas	185.50	J/mol×K	512.88	Joback Calculated Property
Cp,gas	195.48	J/mol×K	545.42	Joback Calculated Property
η	[0.0002505; 0.0003599]	Pa×s	[193.26; 350.16]
η	0.0002505	Pa×s	193.26	Joback Calculated Property
η	0.0002758	Pa×s	219.41	Joback Calculated Property
η	0.0002976	Pa×s	245.56	Joback Calculated Property
η	0.0003163	Pa×s	271.71	Joback Calculated Property
η	0.0003327	Pa×s	297.86	Joback Calculated Property
η	0.0003471	Pa×s	324.01	Joback Calculated Property
η	0.0003599	Pa×s	350.16	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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