Chemical Properties of 1-methyl-cis-2-(1-trans-propenyl)-cyclopropane

InChI

InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h3-4,6-7H,5H2,1-2H3/b4-3+/t6-,7+/m1/s1

InChI Key

LNAVSCYUHFMDNS-OHUBKANTSA-N

Formula

C7H12

SMILES

CC=CC1CC1C

Molecular Weight¹

96.17

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	19.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.29	kJ/mol	Joback Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
logPoct/wat	2.219		Crippen Calculated Property
McVol	94.330	ml/mol	McGowan Calculated Property
Inp	[719.70; 720.40]
Inp	720.40		NIST
Inp	720.10		NIST
Inp	719.70		NIST
Inp	720.40		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[118.80; 336.28]	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			-6.19600e+01
Coefficient B			8.13240e-01
Coefficient C			-6.05600e-04
Coefficient D			1.90600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.80	J/mol×K	273.00	Calculated Property
Cp,gas	158.39	J/mol×K	353.78	Calculated Property
Cp,gas	192.72	J/mol×K	434.56	Calculated Property
Cp,gas	222.39	J/mol×K	515.33	Calculated Property
Cp,gas	248.00	J/mol×K	596.11	Calculated Property
Cp,gas	270.15	J/mol×K	676.89	Calculated Property
Cp,gas	289.46	J/mol×K	757.67	Calculated Property
Cp,gas	306.51	J/mol×K	838.44	Calculated Property
Cp,gas	321.92	J/mol×K	919.22	Calculated Property
Cp,gas	336.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003994; 0.0002287]	Pa×s	[177.27; 387.30]	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			-8.85385e+00
Coefficient B			1.82270e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			177.27
Temperature range, max.			387.30
η	0.0003994	Pa×s	177.27	Calculated Property
η	0.0003543	Pa×s	200.61	Calculated Property
η	0.0003223	Pa×s	223.94	Calculated Property
η	0.0002985	Pa×s	247.28	Calculated Property
η	0.0002801	Pa×s	270.61	Calculated Property
η	0.0002655	Pa×s	293.95	Calculated Property
η	0.0002537	Pa×s	317.29	Calculated Property
η	0.0002439	Pa×s	340.62	Calculated Property
η	0.0002357	Pa×s	363.96	Calculated Property
η	0.0002287	Pa×s	387.30	Calculated Property

Similar Compounds

Find more compounds similar to 1-methyl-cis-2-(1-trans-propenyl)-cyclopropane.

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

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