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

• 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_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).
• 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
PAff	818.50	kJ/mol	NIST
BasG	787.80	kJ/mol	NIST
ΔcH°gas	-2029.00 ± 3.00	kJ/mol	NIST
ΔfG°	72.80	kJ/mol	Joback Calculated Property
ΔfH°gas	45.67	kJ/mol	Joback Calculated Property
ΔfusH°	1.81	kJ/mol	Joback Calculated Property
ΔvapH°	22.79	kJ/mol	Joback 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	-0.83		Crippen 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	278.61	K	Joback Calculated Property
Tc	457.65	K	Joback Calculated Property
Tfus	146.51	K	Joback Calculated Property
Vc	0.147	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[38.20; 70.21]	J/mol×K	[278.61; 457.65]
Cp,gas	38.20	J/mol×K	278.61	Joback Calculated Property
Cp,gas	44.60	J/mol×K	308.45	Joback Calculated Property
Cp,gas	50.54	J/mol×K	338.29	Joback Calculated Property
Cp,gas	56.04	J/mol×K	368.13	Joback Calculated Property
Cp,gas	61.14	J/mol×K	397.97	Joback Calculated Property
Cp,gas	65.85	J/mol×K	427.81	Joback Calculated Property
Cp,gas	70.21	J/mol×K	457.65	Joback Calculated Property
η	[0.0001375; 0.0002886]	Pa×s	[146.51; 278.61]
η	0.0002886	Pa×s	146.51	Joback Calculated Property
η	0.0002353	Pa×s	168.53	Joback Calculated Property
η	0.0002011	Pa×s	190.54	Joback Calculated Property
η	0.0001776	Pa×s	212.56	Joback Calculated Property
η	0.0001605	Pa×s	234.58	Joback Calculated Property
η	0.0001476	Pa×s	256.59	Joback Calculated Property
η	0.0001375	Pa×s	278.61	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.01; 202.79]	kPa	[179.15; 248.60]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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