Chemical Properties of Cyclopentane, heptyl- (CAS 5617-42-5)

InChI

InChI=1S/C12H24/c1-2-3-4-5-6-9-12-10-7-8-11-12/h12H,2-11H2,1H3

InChI Key

BOFNAOHMSHEKQL-UHFFFAOYSA-N

Formula

C12H24

SMILES

CCCCCCCC1CCCC1

Molecular Weight¹

168.32

CAS

5617-42-5

Other Names

• 1-CYCLOPENTYLHEPTANE
• HEPTYLCYCLOPENTANE
• n-Heptylcyclopentane

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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
ω	0.5150		KDB
ΔcH°liquid	-7922.10 ± 1.60	kJ/mol	NIST
ΔfG°	86.67	kJ/mol	KDB
ΔfH°gas	[-230.30; -230.10]	kJ/mol
ΔfH°gas	-230.30	kJ/mol	KDB
ΔfH°gas	-230.10 ± 1.80	kJ/mol	NIST
ΔfusH°	20.77	kJ/mol	Joback Calculated Property
ΔvapH°	60.80	kJ/mol	NIST
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	4.537		Crippen Calculated Property
McVol	169.080	ml/mol	McGowan Calculated Property
Pc	1940.00	kPa	KDB
Inp	1234.00		NIST
I	[1296.00; 1305.00]
I	1305.00		NIST
I	1296.00		NIST
I	1303.00		NIST
I	1304.90		NIST
Tboil	[497.07; 497.30]	K
Tboil	497.30	K	KDB
Tboil	497.07 ± 0.20	K	NIST
Tboil	497.07 ± 0.50	K	NIST
Tc	679.00	K	KDB
Tfus	[212.11; 220.00]	K
Tfus	220.00	K	KDB
Tfus	212.11 ± 0.20	K	NIST
Tfus	212.11 ± 0.50	K	NIST
Vc	0.648	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.52; 500.31]	J/mol×K	[489.24; 674.70]
T(K) Ideal gas heat capacity (J/mol×K) 400 420 440 460 480 500 500 550 600 650
Cp,gas	394.52	J/mol×K	489.24	Joback Calculated Property
Cp,gas	414.39	J/mol×K	520.15	Joback Calculated Property
Cp,gas	433.32	J/mol×K	551.06	Joback Calculated Property
Cp,gas	451.35	J/mol×K	581.97	Joback Calculated Property
Cp,gas	468.51	J/mol×K	612.88	Joback Calculated Property
Cp,gas	484.82	J/mol×K	643.79	Joback Calculated Property
Cp,gas	500.31	J/mol×K	674.70	Joback Calculated Property
η	[0.0002835; 0.0055055]	Pa×s	[235.90; 489.24]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 300 400
η	0.0055055	Pa×s	235.90	Joback Calculated Property
η	0.0023074	Pa×s	278.12	Joback Calculated Property
η	0.0012162	Pa×s	320.35	Joback Calculated Property
η	0.0007442	Pa×s	362.57	Joback Calculated Property
η	0.0005045	Pa×s	404.79	Joback Calculated Property
η	0.0003681	Pa×s	447.02	Joback Calculated Property
η	0.0002835	Pa×s	489.24	Joback Calculated Property
ΔvapH	43.35	kJ/mol	497.30	KDB
ρl	810.00	kg/m3	293.00	KDB
γ	0.03	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[372.34; 527.62]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47895e+01
Coefficient B			-4.24819e+03
Coefficient C			-7.93990e+01
Temperature range, min.			372.34
Temperature range, max.			527.62
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500
Pvap	1.33	kPa	372.34	Calculated Property
Pvap	2.99	kPa	389.59	Calculated Property
Pvap	6.15	kPa	406.85	Calculated Property
Pvap	11.77	kPa	424.10	Calculated Property
Pvap	21.17	kPa	441.35	Calculated Property
Pvap	36.11	kPa	458.61	Calculated Property
Pvap	58.80	kPa	475.86	Calculated Property
Pvap	91.93	kPa	493.11	Calculated Property
Pvap	138.68	kPa	510.37	Calculated Property
Pvap	202.67	kPa	527.62	Calculated Property
Pvap	[1.29; 1934.05]	kPa	[368.00; 679.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.21686e+02
Coefficient B			-1.16261e+04
Coefficient C			-1.53646e+01
Coefficient D			6.91950e-06
Temperature range, min.			368.00
Temperature range, max.			679.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 400 500 600
Pvap	1.29	kPa	368.00	Calculated Property
Pvap	5.89	kPa	402.56	Calculated Property
Pvap	19.91	kPa	437.11	Calculated Property
Pvap	53.95	kPa	471.67	Calculated Property
Pvap	123.73	kPa	506.22	Calculated Property
Pvap	249.99	kPa	540.78	Calculated Property
Pvap	458.46	kPa	575.33	Calculated Property
Pvap	780.58	kPa	609.89	Calculated Property
Pvap	1255.56	kPa	644.44	Calculated Property
Pvap	1934.05	kPa	679.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentane, heptyl-.

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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