Chemical Properties of 1-Methyl-trans-2-pentylcyclopropane

InChI

InChI=1S/C9H18/c1-4-5-7(2)9-6-8(9)3/h7-9H,4-6H2,1-3H3/t7?,8-,9+/m1/s1

InChI Key

QRTKUJRGCCRFOM-ASODMVGOSA-N

Formula

C9H18

SMILES

CCCC(C)C1CC1C

Molecular Weight¹

126.24

• 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°	14.75	kJ/mol	Joback Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Inp	[864.20; 865.90]
Inp	864.60		NIST
Inp	864.60		NIST
Inp	865.90		NIST
Inp	864.20		NIST
Tboil	409.31	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	[174.91; 470.58]	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			-5.12780e+01
Coefficient B			9.89160e-01
Coefficient C			-6.33800e-04
Coefficient D			1.66500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.91	J/mol×K	273.00	Calculated Property
Cp,gas	226.71	J/mol×K	353.78	Calculated Property
Cp,gas	272.54	J/mol×K	434.56	Calculated Property
Cp,gas	312.94	J/mol×K	515.33	Calculated Property
Cp,gas	348.42	J/mol×K	596.11	Calculated Property
Cp,gas	379.52	J/mol×K	676.89	Calculated Property
Cp,gas	406.76	J/mol×K	757.67	Calculated Property
Cp,gas	430.66	J/mol×K	838.44	Calculated Property
Cp,gas	451.76	J/mol×K	919.22	Calculated Property
Cp,gas	470.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011687; 0.0003434]	Pa×s	[189.89; 411.15]	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			-9.02779e+00
Coefficient B			4.32170e+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.			189.89
Temperature range, max.			411.15
η	0.0011687	Pa×s	189.89	Calculated Property
η	0.0009003	Pa×s	214.47	Calculated Property
η	0.0007318	Pa×s	239.06	Calculated Property
η	0.0006183	Pa×s	263.64	Calculated Property
η	0.0005376	Pa×s	288.23	Calculated Property
η	0.0004778	Pa×s	312.81	Calculated Property
η	0.0004321	Pa×s	337.40	Calculated Property
η	0.0003961	Pa×s	361.98	Calculated Property
η	0.0003671	Pa×s	386.57	Calculated Property
η	0.0003434	Pa×s	411.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-trans-2-pentylcyclopropane.

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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