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	682.81	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,gas	[286.16; 401.24]	J/mol×K	[458.76; 680.81]
Cp,gas	286.16	J/mol×K	458.76	Joback Calculated Property
Cp,gas	308.56	J/mol×K	495.77	Joback Calculated Property
Cp,gas	329.59	J/mol×K	532.78	Joback Calculated Property
Cp,gas	349.32	J/mol×K	569.78	Joback Calculated Property
Cp,gas	367.80	J/mol×K	606.79	Joback Calculated Property
Cp,gas	385.09	J/mol×K	643.80	Joback Calculated Property
Cp,gas	401.24	J/mol×K	680.81	Joback Calculated Property
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
η	[0.0004040; 0.0046703]	Pa×s	[224.26; 458.76]
η	0.0046703	Pa×s	224.26	Joback Calculated Property
η	0.0022946	Pa×s	263.34	Joback Calculated Property
η	0.0013547	Pa×s	302.43	Joback Calculated Property
η	0.0009023	Pa×s	341.51	Joback Calculated Property
η	0.0006533	Pa×s	380.59	Joback Calculated Property
η	0.0005024	Pa×s	419.68	Joback Calculated Property
η	0.0004040	Pa×s	458.76	Joback Calculated Property
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
Pvap	[1.33; 202.64]	kPa	[324.15; 494.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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