Chemical Properties of 1,1'-Bicyclopentyl (CAS 1636-39-1)

InChI

InChI=1S/C10H18/c1-2-6-9(5-1)10-7-3-4-8-10/h9-10H,1-8H2

InChI Key

MAWOHFOSAIXURX-UHFFFAOYSA-N

Formula

C10H18

SMILES

C1CCC(C2CCCC2)C1

Molecular Weight¹

138.25

CAS

1636-39-1

Other Names

• bicyclopentyl
• cyclopentane, cyclopentyl-
• cyclopentylcyclopentane
• dicyclopentyl

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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).
• P_vap : Vapor 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	[-6332.00; -6205.80]	kJ/mol
ΔcH°liquid	-6328.26 ± 0.84	kJ/mol	NIST
ΔcH°liquid	-6205.80	kJ/mol	NIST
ΔcH°liquid	-6332.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-127.11	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-179.30 ± 1.00	kJ/mol	NIST
ΔfusH°	13.40	kJ/mol	High-energy components of "designer gasoline and designer diesel fuel" I. Heat capacities, enthalpy increments, vapor pressures, critical properties, and derived thermodynamic functions for bicyclopentyl between the T=(10 and 600) K
ΔvapH°	50.40 ± 0.10	kJ/mol	NIST
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	130.040	ml/mol	McGowan Calculated Property
Pc	3025.61	kPa	Joback Calculated Property
Inp	[1071.80; 1130.00]
Inp	Outlier 1130.00		NIST
Inp	1086.00		NIST
Inp	1113.00		NIST
Inp	1087.00		NIST
Inp	1071.80		NIST
Inp	1077.60		NIST
Inp	1080.90		NIST
Inp	1071.80		NIST
Inp	1077.60		NIST
Inp	1080.90		NIST
Tboil	[462.00; 463.60]	K
Tboil	463.00 ± 3.00	K	NIST
Tboil	462.00 ± 3.00	K	NIST
Tboil	463.60 ± 0.20	K	NIST
Tboil	463.59 ± 0.30	K	NIST
Tboil	463.60 ± 0.30	K	NIST
Tc	685.34	K	Relay (1.0) Calculated Property
Tfus	[237.62; 240.00]	K
Tfus	Outlier 240.00 ± 1.66	K	NIST
Tfus	237.78 ± 0.02	K	NIST
Tfus	237.79 ± 0.02	K	NIST
Tfus	237.80 ± 0.01	K	NIST
Tfus	237.73 ± 0.20	K	NIST
Tfus	237.78 ± 0.05	K	NIST
Tfus	237.80 ± 0.02	K	NIST
Tfus	237.79 ± 0.03	K	NIST
Tfus	237.73 ± 0.30	K	NIST
Tfus	237.62 ± 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[229.70; 238.90]	J/mol×K	[298.15; 311.00]
Cp,liquid	238.90	J/mol×K	298.15	NIST
Cp,liquid	229.70	J/mol×K	311.00	NIST
ΔfusH	13.40	kJ/mol	237.80	NIST
ΔvapH	[38.90; 44.10]	kJ/mol	[371.50; 446.50]
ΔvapH	43.20	kJ/mol	371.50	NIST
ΔvapH	44.10 ± 0.10	kJ/mol	446.50	NIST
ΔvapH	41.60 ± 0.10	kJ/mol	446.50	NIST
ΔvapH	38.90 ± 0.20	kJ/mol	446.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.17; 501.83]	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			-1.27170e+02
Coefficient B			1.21720e+00
Coefficient C			-7.75000e-04
Coefficient D			1.86800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.17	J/mol×K	273.00	Calculated Property
Cp,gas	214.72	J/mol×K	353.78	Calculated Property
Cp,gas	270.75	J/mol×K	434.56	Calculated Property
Cp,gas	319.84	J/mol×K	515.33	Calculated Property
Cp,gas	362.59	J/mol×K	596.11	Calculated Property
Cp,gas	399.58	J/mol×K	676.89	Calculated Property
Cp,gas	431.41	J/mol×K	757.67	Calculated Property
Cp,gas	458.67	J/mol×K	838.44	Calculated Property
Cp,gas	481.95	J/mol×K	919.22	Calculated Property
Cp,gas	501.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035586; 0.0003698]	Pa×s	[237.76; 476.77]	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			-1.01549e+01
Coefficient B			1.07384e+03
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.			237.76
Temperature range, max.			476.77
η	0.0035586	Pa×s	237.76	Calculated Property
η	0.0022605	Pa×s	264.32	Calculated Property
η	0.0015599	Pa×s	290.87	Calculated Property
η	0.0011454	Pa×s	317.43	Calculated Property
η	0.0008821	Pa×s	343.99	Calculated Property
η	0.0007053	Pa×s	370.54	Calculated Property
η	0.0005810	Pa×s	397.10	Calculated Property
η	0.0004904	Pa×s	423.66	Calculated Property
η	0.0004223	Pa×s	450.22	Calculated Property
η	0.0003698	Pa×s	476.77	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[324.15; 494.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61374e+01
Coefficient B			-5.80538e+03
Coefficient C			4.21280e+01
Temperature range, min.			324.15
Temperature range, max.			494.12
Pvap	1.33	kPa	324.15	Calculated Property
Pvap	2.90	kPa	343.04	Calculated Property
Pvap	5.87	kPa	361.92	Calculated Property
Pvap	11.14	kPa	380.81	Calculated Property
Pvap	20.04	kPa	399.69	Calculated Property
Pvap	34.34	kPa	418.58	Calculated Property
Pvap	56.40	kPa	437.46	Calculated Property
Pvap	89.22	kPa	456.35	Calculated Property
Pvap	136.49	kPa	475.23	Calculated Property
Pvap	202.64	kPa	494.12	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• High-energy components of "designer gasoline and designer diesel fuel" I. Heat capacities, enthalpy increments, vapor pressures, critical properties, and derived thermodynamic functions for bicyclopentyl between the T=(10 and 600) K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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