Chemical Properties of Cyclopentane, butyl- (CAS 2040-95-1)

InChI

InChI=1S/C9H18/c1-2-3-6-9-7-4-5-8-9/h9H,2-8H2,1H3

InChI Key

ZAGHKONXGGSVDV-UHFFFAOYSA-N

Formula

C9H18

SMILES

CCCCC1CCCC1

Molecular Weight¹

126.24

CAS

2040-95-1

Other Names

• BUTYLCYCLOPENTANE
• n-Butylcyclopentane

• 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_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_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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5899.90 ± 1.40	kJ/mol	NIST
ΔfG°	61.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-168.30 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-214.30 ± 1.50	kJ/mol	NIST
ΔfusH°	13.00	kJ/mol	Joback Calculated Property
ΔvapH°	[45.91; 46.00]	kJ/mol
ΔvapH°	45.91	kJ/mol	NIST
ΔvapH°	46.00	kJ/mol	NIST
IE	9.95 ± 0.03	eV	NIST
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Pc	2764.26	kPa	Joback Calculated Property
Inp	[929.40; 949.00]
Inp	938.30		NIST
Inp	929.40		NIST
Inp	929.80		NIST
Inp	936.40		NIST
Inp	937.20		NIST
Inp	937.80		NIST
Inp	938.00		NIST
Inp	942.00		NIST
Inp	930.00		NIST
Inp	934.00		NIST
Inp	936.40		NIST
Inp	937.10		NIST
Inp	937.00		NIST
Inp	938.00		NIST
Inp	942.00		NIST
Inp	930.00		NIST
Inp	934.00		NIST
Inp	940.00		NIST
Inp	944.00		NIST
Inp	946.00		NIST
Inp	Outlier 949.00		NIST
Inp	931.00		NIST
Inp	932.00		NIST
Inp	Outlier 947.00		NIST
Inp	935.85		NIST
Inp	936.00		NIST
Inp	931.00		NIST
Inp	930.00		NIST
Inp	937.00		NIST
Inp	934.00		NIST
Inp	937.00		NIST
Inp	941.00		NIST
Inp	930.00		NIST
Inp	930.00		NIST
I	[971.00; 1009.00]
I	1009.00		NIST
I	993.00		NIST
I	997.00		NIST
I	1001.00		NIST
I	997.00		NIST
I	1000.00		NIST
I	1004.00		NIST
I	989.00		NIST
I	994.00		NIST
I	996.70		NIST
I	1000.50		NIST
I	1004.50		NIST
I	988.90		NIST
I	993.80		NIST
I	1009.00		NIST
I	979.00		NIST
I	Outlier 971.00		NIST
I	1009.00		NIST
I	1000.00		NIST
I	1000.50		NIST
S°gas	453.80	J/mol×K	NIST
S°liquid	343.84	J/mol×K	NIST
Tboil	429.85	K	KDB
Tc	631.00	K	NIST
Tfus	164.95	K	KDB
Ttriple	[165.18; 165.19]	K
Ttriple	165.18 ± 0.01	K	NIST
Ttriple	165.19 ± 0.60	K	NIST
Vc	0.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.97; 349.16]	J/mol×K	[420.60; 611.72]
Cp,gas	255.97	J/mol×K	420.60	Joback Calculated Property
Cp,gas	273.49	J/mol×K	452.45	Joback Calculated Property
Cp,gas	290.18	J/mol×K	484.31	Joback Calculated Property
Cp,gas	306.07	J/mol×K	516.16	Joback Calculated Property
Cp,gas	321.18	J/mol×K	548.02	Joback Calculated Property
Cp,gas	335.53	J/mol×K	579.87	Joback Calculated Property
Cp,gas	349.16	J/mol×K	611.72	Joback Calculated Property
Cp,liquid	245.35	J/mol×K	298.15	NIST
η	[0.0003098; 0.0048336]	Pa×s	[202.09; 420.60]
η	0.0048336	Pa×s	202.09	Joback Calculated Property
η	0.0021556	Pa×s	238.51	Joback Calculated Property
η	0.0011906	Pa×s	274.93	Joback Calculated Property
η	0.0007556	Pa×s	311.35	Joback Calculated Property
η	0.0005274	Pa×s	347.76	Joback Calculated Property
η	0.0003941	Pa×s	384.18	Joback Calculated Property
η	0.0003098	Pa×s	420.60	Joback Calculated Property
ΔfusH	[11.31; 11.31]	kJ/mol	[165.18; 165.20]
ΔfusH	11.31	kJ/mol	165.18	NIST
ΔfusH	11.31	kJ/mol	165.20	NIST
ΔfusH	11.31	kJ/mol	165.20	NIST
ΔvapH	[36.16; 43.80]	kJ/mol	[328.00; 429.80]
ΔvapH	43.80 ± 0.10	kJ/mol	328.00	NIST
ΔvapH	42.70 ± 0.10	kJ/mol	343.00	NIST
ΔvapH	41.60 ± 0.10	kJ/mol	358.00	NIST
ΔvapH	40.90 ± 0.10	kJ/mol	368.00	NIST
ΔvapH	39.40	kJ/mol	422.50	NIST
ΔvapH	36.16	kJ/mol	429.80	NIST
ΔfusS	68.49	J/mol×K	165.18	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[315.07; 458.58]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42739e+01
Coefficient B			-3.58075e+03
Coefficient C			-5.90530e+01
Temperature range, min.			315.07
Temperature range, max.			458.58
Pvap	1.33	kPa	315.07	Calculated Property
Pvap	3.03	kPa	331.02	Calculated Property
Pvap	6.28	kPa	346.96	Calculated Property
Pvap	12.05	kPa	362.91	Calculated Property
Pvap	21.69	kPa	378.85	Calculated Property
Pvap	36.92	kPa	394.80	Calculated Property
Pvap	59.88	kPa	410.74	Calculated Property
Pvap	93.13	kPa	426.69	Calculated Property
Pvap	139.61	kPa	442.63	Calculated Property
Pvap	202.64	kPa	458.58	Calculated Property
Pvap	[1.34; 2778.61]	kPa	[314.15; 625.05]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.37957e+01
Coefficient B			-8.62508e+03
Coefficient C			-1.16028e+01
Coefficient D			6.73064e-06
Temperature range, min.			314.15
Temperature range, max.			625.05
Pvap	1.34	kPa	314.15	Calculated Property
Pvap	7.06	kPa	348.69	Calculated Property
Pvap	25.99	kPa	383.24	Calculated Property
Pvap	73.96	kPa	417.78	Calculated Property
Pvap	174.28	kPa	452.33	Calculated Property
Pvap	357.11	kPa	486.87	Calculated Property
Pvap	659.05	kPa	521.42	Calculated Property
Pvap	1124.16	kPa	555.96	Calculated Property
Pvap	1807.12	kPa	590.51	Calculated Property
Pvap	2778.61	kPa	625.05	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, butyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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