Chemical Properties of Isopropenylcyclopropane (CAS 4663-22-3)

InChI

InChI=1S/C6H10/c1-5(2)6-3-4-6/h6H,1,3-4H2,2H3

InChI Key

MKPHNILWOMCVTH-UHFFFAOYSA-N

Formula

C6H10

SMILES

C=C(C)C1CC1

Molecular Weight¹

82.14

CAS

4663-22-3

Other Names

• Cyclopropane, (1-methylethenyl)-
• Propene, 2-cyclopropyl-
• 2-Cyclopropyl-1-propene
• 2-Cyclopropylpropene
• 1-Methylethenylcyclopropane
• Isopropneylcyclopropane

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	871.60	kJ/mol	NIST
BasG	842.70	kJ/mol	NIST
ΔcH°liquid	[-3849.00; -3620.00]	kJ/mol
ΔcH°liquid	-3849.00	kJ/mol	NIST
ΔcH°liquid	-3620.00	kJ/mol	NIST
ΔfH°gas	69.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.84	kJ/mol	Joback Calculated Property
ΔvapH°	29.40	kJ/mol	Relay (1.0) Calculated Property
IE	[8.66; 9.12]	eV
IE	8.66 ± 0.05	eV	NIST
IE	9.12	eV	NIST
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	1.973		Crippen Calculated Property
McVol	80.240	ml/mol	McGowan Calculated Property
Inp	[615.00; 619.00]
Inp	615.00		NIST
Inp	616.00		NIST
Inp	617.00		NIST
Inp	619.00		NIST
Inp	615.00		NIST
Tboil	[343.48; 343.70]	K
Tboil	343.50 ± 1.00	K	NIST
Tboil	343.48 ± 0.20	K	NIST
Tboil	343.48 ± 0.30	K	NIST
Tboil	343.48 ± 0.20	K	NIST
Tboil	343.56 ± 0.30	K	NIST
Tboil	343.56 ± 0.30	K	NIST
Tboil	Outlier 343.70 ± 0.40	K	NIST
Tfus	[170.79; 170.81]	K
Tfus	170.81 ± 0.20	K	NIST
Tfus	170.81 ± 0.30	K	NIST
Tfus	170.81 ± 0.15	K	NIST
Tfus	170.79 ± 0.20	K	NIST
Tfus	170.81 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.75; 189.59]	J/mol×K	[339.98; 526.23]
Cp,gas	127.75	J/mol×K	339.98	Joback Calculated Property
Cp,gas	139.63	J/mol×K	371.02	Joback Calculated Property
Cp,gas	150.84	J/mol×K	402.06	Joback Calculated Property
Cp,gas	161.41	J/mol×K	433.10	Joback Calculated Property
Cp,gas	171.37	J/mol×K	464.14	Joback Calculated Property
Cp,gas	180.75	J/mol×K	495.19	Joback Calculated Property
Cp,gas	189.59	J/mol×K	526.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopropenylcyclopropane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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