Chemical Properties of 1-Methyl-cis-2-(trans-3-pentenyl)-cyclopropane

InChI

InChI=1S/C9H16/c1-3-4-5-6-9-7-8(9)2/h3-4,8-9H,5-7H2,1-2H3/b4-3+/t8-,9+/m1/s1

InChI Key

BRJAZMJACNNPEV-BKIAHZASSA-N

Formula

C9H16

SMILES

CC=CCCC1CC1C

Molecular Weight¹

124.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.47	kJ/mol	Joback Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Inp	[897.50; 900.00]
Inp	900.00		NIST
Inp	900.00		NIST
Inp	897.50		NIST
Tboil	418.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[161.23; 439.46]	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			-6.37780e+01
Coefficient B			1.00324e+00
Coefficient C			-7.14400e-04
Coefficient D			2.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.23	J/mol×K	273.00	Calculated Property
Cp,gas	211.23	J/mol×K	353.78	Calculated Property
Cp,gas	254.87	J/mol×K	434.56	Calculated Property
Cp,gas	292.84	J/mol×K	515.33	Calculated Property
Cp,gas	325.82	J/mol×K	596.11	Calculated Property
Cp,gas	354.47	J/mol×K	676.89	Calculated Property
Cp,gas	379.49	J/mol×K	757.67	Calculated Property
Cp,gas	401.54	J/mol×K	838.44	Calculated Property
Cp,gas	421.30	J/mol×K	919.22	Calculated Property
Cp,gas	439.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007918; 0.0003009]	Pa×s	[199.81; 417.80]	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			-8.99589e+00
Coefficient B			3.70590e+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.			199.81
Temperature range, max.			417.80
η	0.0007918	Pa×s	199.81	Calculated Property
η	0.0006479	Pa×s	224.03	Calculated Property
η	0.0005514	Pa×s	248.25	Calculated Property
η	0.0004829	Pa×s	272.47	Calculated Property
η	0.0004321	Pa×s	296.70	Calculated Property
η	0.0003932	Pa×s	320.92	Calculated Property
η	0.0003626	Pa×s	345.14	Calculated Property
η	0.0003380	Pa×s	369.36	Calculated Property
η	0.0003177	Pa×s	393.58	Calculated Property
η	0.0003009	Pa×s	417.80	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-cis-2-(trans-3-pentenyl)-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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