Chemical Properties of 1-Methylcyclopropene (CAS 3100-04-7)

InChI

InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3

InChI Key

SHDPRTQPPWIEJG-UHFFFAOYSA-N

Formula

C4H6

SMILES

CC1=CC1

Molecular Weight¹

54.09

CAS

3100-04-7

Other Names

• Cyclopropene, 1-methyl-

• 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).
• 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).
• 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
PAff	856.00	kJ/mol	NIST
BasG	826.90	kJ/mol	NIST
ΔcH°gas	-2675.10 ± 1.10	kJ/mol	NIST
ΔfG°	71.59	kJ/mol	Joback Calculated Property
ΔfH°gas	244.00 ± 1.00	kJ/mol	NIST
ΔfusH°	4.01	kJ/mol	Joback Calculated Property
ΔvapH°	25.67	kJ/mol	Joback Calculated Property
log10WS	-1.25		Crippen Calculated Property
logPoct/wat	1.336		Crippen Calculated Property
McVol	52.060	ml/mol	McGowan Calculated Property
Pc	4973.33	kPa	Joback Calculated Property
Inp	[426.50; 426.50]
Inp	426.50		NIST
Inp	426.50		NIST
Tboil	306.47	K	Joback Calculated Property
Tc	488.95	K	Joback Calculated Property
Tfus	170.30	K	Joback Calculated Property
Vc	0.203	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[69.28; 106.67]	J/mol×K	[306.47; 488.95]
Cp,gas	69.28	J/mol×K	306.47	Joback Calculated Property
Cp,gas	76.56	J/mol×K	336.88	Joback Calculated Property
Cp,gas	83.39	J/mol×K	367.30	Joback Calculated Property
Cp,gas	89.79	J/mol×K	397.71	Joback Calculated Property
Cp,gas	95.79	J/mol×K	428.12	Joback Calculated Property
Cp,gas	101.41	J/mol×K	458.53	Joback Calculated Property
Cp,gas	106.67	J/mol×K	488.95	Joback Calculated Property
η	[0.0001785; 0.0003628]	Pa×s	[170.30; 306.47]
η	0.0003628	Pa×s	170.30	Joback Calculated Property
η	0.0003007	Pa×s	193.00	Joback Calculated Property
η	0.0002593	Pa×s	215.69	Joback Calculated Property
η	0.0002299	Pa×s	238.39	Joback Calculated Property
η	0.0002082	Pa×s	261.08	Joback Calculated Property
η	0.0001916	Pa×s	283.78	Joback Calculated Property
η	0.0001785	Pa×s	306.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methylcyclopropene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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