Chemical Properties of Cyclopropene (CAS 2781-85-3)

InChI

InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2

InChI Key

OOXWYYGXTJLWHA-UHFFFAOYSA-N

Formula

C3H4

SMILES

C1=CC1

Molecular Weight¹

40.06

CAS

2781-85-3

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.1959		Relay (1.0) Calculated Property
PAff	818.50	kJ/mol	NIST
BasG	787.80	kJ/mol	NIST
ΔcH°gas	-2029.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	209.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	1.81	kJ/mol	Joback Calculated Property
ΔvapH°	18.79	kJ/mol	Relay (1.0) Calculated Property
IE	[9.64; 9.86]	eV
IE	9.67 ± 0.01	eV	NIST
IE	9.67 ± 0.01	eV	NIST
IE	9.67 ± 0.01	eV	NIST
IE	9.70 ± 0.02	eV	NIST
IE	9.70 ± 0.10	eV	NIST
IE	9.67	eV	NIST
IE	9.64	eV	NIST
IE	9.70	eV	NIST
IE	9.86	eV	NIST
IE	9.82	eV	NIST
IE	9.86	eV	NIST
IE	9.86	eV	NIST
log10WS	-1.15		Relay (1.0) Calculated Property
logPoct/wat	0.946		Crippen Calculated Property
McVol	37.970	ml/mol	McGowan Calculated Property
Pc	5853.95	kPa	Joback Calculated Property
Tboil	253.70	K	Relay (1.0) Calculated Property
Tc	413.09	K	Relay (1.0) Calculated Property
Tfus	134.40	K	Relay (1.0) Calculated Property
Vc	0.163	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[36.94; 115.88]	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			-4.82400e+01
Coefficient B			4.10200e-01
Coefficient C			-4.02280e-04
Coefficient D			1.56200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	36.94	J/mol×K	273.00	Calculated Property
Cp,gas	53.45	J/mol×K	353.78	Calculated Property
Cp,gas	66.87	J/mol×K	434.56	Calculated Property
Cp,gas	77.69	J/mol×K	515.33	Calculated Property
Cp,gas	86.42	J/mol×K	596.11	Calculated Property
Cp,gas	93.55	J/mol×K	676.89	Calculated Property
Cp,gas	99.56	J/mol×K	757.67	Calculated Property
Cp,gas	104.96	J/mol×K	838.44	Calculated Property
Cp,gas	110.23	J/mol×K	919.22	Calculated Property
Cp,gas	115.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002886; 0.0001235]	Pa×s	[146.51; 320.59]	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			-9.71350e+00
Coefficient B			2.29010e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			146.51
Temperature range, max.			320.59
η	0.0002886	Pa×s	146.51	Calculated Property
η	0.0002405	Pa×s	165.85	Calculated Property
η	0.0002082	Pa×s	185.19	Calculated Property
η	0.0001852	Pa×s	204.54	Calculated Property
η	0.0001682	Pa×s	223.88	Calculated Property
η	0.0001550	Pa×s	243.22	Calculated Property
η	0.0001446	Pa×s	262.56	Calculated Property
η	0.0001362	Pa×s	281.90	Calculated Property
η	0.0001293	Pa×s	301.25	Calculated Property
η	0.0001235	Pa×s	320.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.01; 202.79]	kPa	[179.15; 248.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.99106e+02
Coefficient B			-1.15136e+06
Coefficient C			3.67034e+03
Temperature range, min.			179.15
Temperature range, max.			248.60
Pvap	1.01	kPa	179.15	Calculated Property
Pvap	1.84	kPa	186.87	Calculated Property
Pvap	3.34	kPa	194.58	Calculated Property
Pvap	6.05	kPa	202.30	Calculated Property
Pvap	10.92	kPa	210.02	Calculated Property
Pvap	19.68	kPa	217.73	Calculated Property
Pvap	35.39	kPa	225.45	Calculated Property
Pvap	63.47	kPa	233.17	Calculated Property
Pvap	113.58	kPa	240.88	Calculated Property
Pvap	202.79	kPa	248.60	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropene.

Sources

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

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