Chemical Properties of Cyclopentane, propyl- (CAS 2040-96-2)

InChI

InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3

InChI Key

KDIAMAVWIJYWHN-UHFFFAOYSA-N

Formula

C8H16

SMILES

CCCC1CCCC1

Molecular Weight¹

112.21

CAS

2040-96-2

Other Names

• 1-CYCLOPENTYLPROPANE
• Cyclopentane, n-propyl-
• PROPYLCYCLOPENTANE
• n-Propylcyclopentane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• 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).
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3350		KDB
AP	317.650	K	KDB
ΔcH°liquid	[-5245.98; -5245.60]	kJ/mol
ΔcH°liquid	-5245.98 ± 0.75	kJ/mol	NIST
ΔcH°liquid	-5245.60 ± 1.20	kJ/mol	NIST
ΔfG°	52.63	kJ/mol	KDB
Δc,grossH	5245.65	kJ/mol	KDB
Δc,netH	4893.565	kJ/mol	KDB
ΔfH°gas	[-148.20; -147.60]	kJ/mol
ΔfH°gas	-148.20	kJ/mol	KDB
ΔfH°gas	-147.60	kJ/mol	NIST
ΔfH°gas	-148.10 ± 1.30	kJ/mol	NIST
ΔfH°liquid	[-189.20; -188.70]	kJ/mol
ΔfH°liquid	-188.70 ± 0.92	kJ/mol	NIST
ΔfH°liquid	-189.20 ± 1.30	kJ/mol	NIST
ΔfusH°	10.41	kJ/mol	Joback Calculated Property
ΔvapH°	[41.08; 41.12]	kJ/mol
ΔvapH°	41.12	kJ/mol	NIST
ΔvapH°	41.10	kJ/mol	NIST
ΔvapH°	41.10 ± 0.10	kJ/mol	NIST
ΔvapH°	41.08	kJ/mol	NIST
ΔvapH°	41.10	kJ/mol	NIST
IE	[9.34; 10.00]	eV
IE	9.34 ± 0.05	eV	NIST
IE	10.00 ± 0.04	eV	NIST
log10WS	[-4.74; -4.74]
log10WS	-4.74		Aq. Sol...
log10WS	-4.74		Estimat...
logPoct/wat	2.977		Crippen Calculated Property
McVol	112.720	ml/mol	McGowan Calculated Property
Pc	3000.00	kPa	KDB
Inp	[808.20; 857.00]
Inp	826.00		NIST
Inp	827.20		NIST
Inp	831.60		NIST
Inp	829.40		NIST
Inp	833.40		NIST
Inp	829.90		NIST
Inp	839.20		NIST
Inp	830.10		NIST
Inp	830.40		NIST
Inp	833.80		NIST
Inp	837.10		NIST
Inp	837.30		NIST
Inp	839.00		NIST
Inp	840.00		NIST
Inp	832.00		NIST
Inp	836.00		NIST
Inp	848.00		NIST
Inp	Outlier 851.00		NIST
Inp	Outlier 853.00		NIST
Inp	Outlier 857.00		NIST
Inp	830.00		NIST
Inp	834.00		NIST
Inp	848.00		NIST
Inp	Outlier 849.00		NIST
Inp	830.00		NIST
Inp	833.00		NIST
Inp	834.00		NIST
Inp	836.00		NIST
Inp	839.00		NIST
Inp	830.30		NIST
Inp	830.00		NIST
Inp	Outlier 851.00		NIST
Inp	826.00		NIST
Inp	830.00		NIST
Inp	834.00		NIST
Inp	838.00		NIST
Inp	834.00		NIST
Inp	834.00		NIST
Inp	845.00		NIST
Inp	Outlier 808.20		NIST
Inp	841.73		NIST
Inp	832.00		NIST
Inp	831.30		NIST
Inp	836.50		NIST
Inp	832.70		NIST
Inp	827.12		NIST
Inp	827.00		NIST
Inp	830.60		NIST
Inp	825.30		NIST
Inp	825.60		NIST
Inp	834.00		NIST
Inp	830.00		NIST
Inp	839.00		NIST
Inp	828.00		NIST
Inp	834.00		NIST
Inp	828.00		NIST
Inp	831.00		NIST
Inp	832.00		NIST
Inp	830.00		NIST
Inp	833.00		NIST
Inp	832.00		NIST
Inp	830.70		NIST
Inp	832.30		NIST
Inp	834.50		NIST
Inp	836.20		NIST
Inp	837.60		NIST
Inp	838.80		NIST
Inp	830.00		NIST
Inp	832.00		NIST
Inp	834.00		NIST
Inp	836.00		NIST
Inp	837.00		NIST
Inp	838.00		NIST
Inp	Outlier 817.00		NIST
Inp	826.00		NIST
Inp	830.00		NIST
Inp	832.00		NIST
Inp	827.00		NIST
Inp	834.00		NIST
Inp	832.30		NIST
Inp	830.00		NIST
Inp	838.00		NIST
I	[890.60; 912.00]
I	912.00		NIST
I	895.00		NIST
I	900.00		NIST
I	904.00		NIST
I	898.00		NIST
I	903.00		NIST
I	907.00		NIST
I	891.00		NIST
I	894.00		NIST
I	898.00		NIST
I	903.00		NIST
I	907.10		NIST
I	890.60		NIST
I	894.00		NIST
I	912.00		NIST
I	912.00		NIST
I	903.00		NIST
S°gas	414.47	J/mol×K	NIST
S°liquid	310.83	J/mol×K	NIST
Tboil	404.10	K	KDB
Tc	603.00	K	KDB
Tfus	[155.80; 156.00]	K
Tfus	155.80	K	KDB
Tfus	156.00	K	Aq. Sol...
Ttriple	[155.79; 155.80]	K
Ttriple	155.79 ± 0.01	K	NIST
Ttriple	155.80 ± 0.60	K	NIST
Vc	0.425	m3/kmol	KDB
Zc	0.2543060		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.84; 301.46]	J/mol×K	[397.72; 590.42]
Cp,gas	213.84	J/mol×K	397.72	Joback Calculated Property
Cp,gas	230.32	J/mol×K	429.84	Joback Calculated Property
Cp,gas	246.02	J/mol×K	461.95	Joback Calculated Property
Cp,gas	260.95	J/mol×K	494.07	Joback Calculated Property
Cp,gas	275.16	J/mol×K	526.19	Joback Calculated Property
Cp,gas	288.65	J/mol×K	558.31	Joback Calculated Property
Cp,gas	301.46	J/mol×K	590.42	Joback Calculated Property
Cp,liquid	216.27	J/mol×K	298.15	NIST
η	[0.0003069; 0.0043742]	Pa×s	[190.82; 397.72]
η	0.0043742	Pa×s	190.82	Joback Calculated Property
η	0.0020017	Pa×s	225.30	Joback Calculated Property
η	0.0011273	Pa×s	259.79	Joback Calculated Property
η	0.0007263	Pa×s	294.27	Joback Calculated Property
η	0.0005131	Pa×s	328.75	Joback Calculated Property
η	0.0003873	Pa×s	363.24	Joback Calculated Property
η	0.0003069	Pa×s	397.72	Joback Calculated Property
ΔfusH	[10.03; 10.04]	kJ/mol	[155.79; 155.80]
ΔfusH	10.03	kJ/mol	155.79	NIST
ΔfusH	10.04	kJ/mol	155.80	NIST
ΔfusH	10.04	kJ/mol	155.80	NIST
ΔvapH	[34.11; 39.20]	kJ/mol	[364.50; 404.10]
ΔvapH	39.20	kJ/mol	364.50	NIST
ΔvapH	34.11	kJ/mol	404.10	KDB
ΔvapH	34.70	kJ/mol	404.10	NIST
n0	1.42389		298.15	KDB
ρl	781.00	kg/m3	289.00	KDB
ΔfusS	64.44	J/mol×K	155.79	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[291.64; 432.35]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41315e+01
Coefficient B			-3.42008e+03
Coefficient C			-4.45910e+01
Temperature range, min.			291.64
Temperature range, max.			432.35
Pvap	1.33	kPa	291.64	Calculated Property
Pvap	3.04	kPa	307.27	Calculated Property
Pvap	6.32	kPa	322.91	Calculated Property
Pvap	12.14	kPa	338.54	Calculated Property
Pvap	21.85	kPa	354.18	Calculated Property
Pvap	37.16	kPa	369.81	Calculated Property
Pvap	60.20	kPa	385.45	Calculated Property
Pvap	93.48	kPa	401.08	Calculated Property
Pvap	139.89	kPa	416.72	Calculated Property
Pvap	202.64	kPa	432.35	Calculated Property
Pvap	[6.03e-08; 2951.13]	kPa	[155.81; 603.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.66656e+01
Coefficient B			-7.41133e+03
Coefficient C			-9.07967e+00
Coefficient D			4.79197e-06
Temperature range, min.			155.81
Temperature range, max.			603.00
Pvap	6.03e-08	kPa	155.81	Calculated Property
Pvap	5.26e-04	kPa	205.50	Calculated Property
Pvap	0.09	kPa	255.19	Calculated Property
Pvap	2.38	kPa	304.87	Calculated Property
Pvap	21.32	kPa	354.56	Calculated Property
Pvap	101.36	kPa	404.25	Calculated Property
Pvap	322.85	kPa	453.94	Calculated Property
Pvap	790.66	kPa	503.62	Calculated Property
Pvap	1622.48	kPa	553.31	Calculated Property
Pvap	2951.13	kPa	603.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, propyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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