Chemical Properties of Propane, 2-cyclopropyl- (CAS 3638-35-5)

InChI

InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3

InChI Key

HPBROFGYTXOJIO-UHFFFAOYSA-N

Formula

C6H12

SMILES

CC(C)C1CC1

Molecular Weight¹

84.16

CAS

3638-35-5

Other Names

• 2-Cyclopropylpropane
• Cyclopropane, (1-methylethyl)-
• Cyclopropane, isopropyl-
• Isopropylcyclopropane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ω	0.2579		Relay (1.0) Calculated Property
ΔfusH°	5.91	kJ/mol	Joback Calculated Property
ΔvapH°	30.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
logPoct/wat	2.052		Crippen Calculated Property
McVol	84.540	ml/mol	McGowan Calculated Property
Pc	3646.53	kPa	Joback Calculated Property
Inp	[569.90; 577.00]
Inp	570.00		NIST
Inp	570.00		NIST
Inp	572.00		NIST
Inp	575.00		NIST
Inp	577.00		NIST
Inp	569.90		NIST
Inp	570.00		NIST
Inp	572.00		NIST
Inp	575.00		NIST
Inp	577.00		NIST
Inp	570.00		NIST
Tboil	[331.40; 331.90]	K
Tboil	331.50	K	NIST
Tboil	331.40 ± 1.00	K	NIST
Tboil	331.40 ± 1.00	K	NIST
Tboil	331.46 ± 0.10	K	NIST
Tboil	331.52 ± 0.10	K	NIST
Tboil	331.90 ± 0.50	K	NIST
Tboil	331.84 ± 0.30	K	NIST
Tc	532.91	K	Relay (1.0) Calculated Property
Tfus	[154.83; 160.22]	K
Tfus	160.18 ± 0.10	K	NIST
Tfus	160.22 ± 0.06	K	NIST
Tfus	160.18 ± 0.20	K	NIST
Tfus	160.22 ± 0.10	K	NIST
Tfus	160.18 ± 0.10	K	NIST
Tfus	160.22 ± 0.07	K	NIST
Tfus	159.98 ± 0.10	K	NIST
Tfus	160.08 ± 0.06	K	NIST
Tfus	159.98 ± 0.08	K	NIST
Tfus	159.45 ± 0.20	K	NIST
Tfus	160.08 ± 0.10	K	NIST
Tfus	154.85 ± 0.40	K	NIST
Tfus	154.85 ± 3.00	K	NIST
Tfus	154.83 ± 3.00	K	NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.01; 309.15]	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			-5.44900e+01
Coefficient B			7.30640e-01
Coefficient C			-5.26000e-04
Coefficient D			1.59000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.01	J/mol×K	273.00	Calculated Property
Cp,gas	145.20	J/mol×K	353.78	Calculated Property
Cp,gas	176.73	J/mol×K	434.56	Calculated Property
Cp,gas	204.10	J/mol×K	515.33	Calculated Property
Cp,gas	227.82	J/mol×K	596.11	Calculated Property
Cp,gas	248.38	J/mol×K	676.89	Calculated Property
Cp,gas	266.29	J/mol×K	757.67	Calculated Property
Cp,gas	282.06	J/mol×K	838.44	Calculated Property
Cp,gas	296.17	J/mol×K	919.22	Calculated Property
Cp,gas	309.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010434; 0.0002519]	Pa×s	[158.95; 368.32]	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			-9.36526e+00
Coefficient B			3.97380e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			158.95
Temperature range, max.			368.32
η	0.0010434	Pa×s	158.95	Calculated Property
η	0.0007583	Pa×s	182.21	Calculated Property
η	0.0005924	Pa×s	205.48	Calculated Property
η	0.0004866	Pa×s	228.74	Calculated Property
η	0.0004145	Pa×s	252.01	Calculated Property
η	0.0003628	Pa×s	275.27	Calculated Property
η	0.0003242	Pa×s	298.53	Calculated Property
η	0.0002945	Pa×s	321.80	Calculated Property
η	0.0002709	Pa×s	345.06	Calculated Property
η	0.0002519	Pa×s	368.32	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[245.18; 352.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52356e+01
Coefficient B			-3.16714e+03
Coefficient C			-3.32990e+01
Temperature range, min.			245.18
Temperature range, max.			352.43
Pvap	1.33	kPa	245.18	Calculated Property
Pvap	2.96	kPa	257.10	Calculated Property
Pvap	6.05	kPa	269.01	Calculated Property
Pvap	11.54	kPa	280.93	Calculated Property
Pvap	20.76	kPa	292.85	Calculated Property
Pvap	35.47	kPa	304.76	Calculated Property
Pvap	57.93	kPa	316.68	Calculated Property
Pvap	90.95	kPa	328.60	Calculated Property
Pvap	137.88	kPa	340.51	Calculated Property
Pvap	202.62	kPa	352.43	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-cyclopropyl-.

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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