Chemical Properties of Cyclopropane, propyl- (CAS 2415-72-7)

InChI

InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3

InChI Key

MWVPQZRIWVPJCA-UHFFFAOYSA-N

Formula

C6H12

SMILES

CCCC1CC1

Molecular Weight¹

84.16

CAS

2415-72-7

Other Names

• Propane, 1-cyclopropyl-
• Propylcyclopropane

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2872		Relay (1.0) Calculated Property
ΔcH°liquid	-3770.00	kJ/mol	NIST
ΔfG°	60.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-45.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.43	kJ/mol	Joback Calculated Property
ΔvapH°	31.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-4.02		Relay (1.0) Calculated Property
logPoct/wat	2.196		Crippen Calculated Property
McVol	84.540	ml/mol	McGowan Calculated Property
Pc	3611.55	kPa	Joback Calculated Property
Inp	[608.90; 615.00]
Inp	609.00		NIST
Inp	615.00		NIST
Inp	608.90		NIST
Inp	614.80		NIST
Inp	609.00		NIST
Inp	609.00		NIST
Tboil	[341.65; 342.65]	K
Tboil	342.30 ± 0.50	K	NIST
Tboil	342.65 ± 1.50	K	NIST
Tboil	341.65 ± 1.00	K	NIST
Tc	531.83	K	Relay (1.0) Calculated Property
Tfus	145.70	K	Relay (1.0) Calculated Property
Vc	0.320	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.32; 308.61]	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			-5.28080e+01
Coefficient B			7.24720e-01
Coefficient C			-5.22800e-04
Coefficient D			1.59500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.32	J/mol×K	273.00	Calculated Property
Cp,gas	145.21	J/mol×K	353.78	Calculated Property
Cp,gas	176.49	J/mol×K	434.56	Calculated Property
Cp,gas	203.65	J/mol×K	515.33	Calculated Property
Cp,gas	227.22	J/mol×K	596.11	Calculated Property
Cp,gas	247.68	J/mol×K	676.89	Calculated Property
Cp,gas	265.54	J/mol×K	757.67	Calculated Property
Cp,gas	281.32	J/mol×K	838.44	Calculated Property
Cp,gas	295.51	J/mol×K	919.22	Calculated Property
Cp,gas	308.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007614; 0.0002619]	Pa×s	[175.32; 365.51]	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			-9.23126e+00
Coefficient B			3.59560e+02
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.			175.32
Temperature range, max.			365.51
η	0.0007614	Pa×s	175.32	Calculated Property
η	0.0006107	Pa×s	196.45	Calculated Property
η	0.0005112	Pa×s	217.58	Calculated Property
η	0.0004416	Pa×s	238.72	Calculated Property
η	0.0003907	Pa×s	259.85	Calculated Property
η	0.0003521	Pa×s	280.98	Calculated Property
η	0.0003220	Pa×s	302.11	Calculated Property
η	0.0002979	Pa×s	323.24	Calculated Property
η	0.0002782	Pa×s	344.37	Calculated Property
η	0.0002619	Pa×s	365.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[253.84; 363.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52680e+01
Coefficient B			-3.25869e+03
Coefficient C			-3.63090e+01
Temperature range, min.			253.84
Temperature range, max.			363.60
Pvap	1.33	kPa	253.84	Calculated Property
Pvap	2.95	kPa	266.04	Calculated Property
Pvap	6.04	kPa	278.23	Calculated Property
Pvap	11.52	kPa	290.43	Calculated Property
Pvap	20.73	kPa	302.62	Calculated Property
Pvap	35.43	kPa	314.82	Calculated Property
Pvap	57.88	kPa	327.01	Calculated Property
Pvap	90.89	kPa	339.21	Calculated Property
Pvap	137.83	kPa	351.40	Calculated Property
Pvap	202.64	kPa	363.60	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropane, propyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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