Chemical Properties of (trans-1,2-methylene)butyl-cyclopropane

InChI

InChI=1S/C8H14/c1-2-6-5-8(6)7-3-4-7/h6-8H,2-5H2,1H3/t6-,8+/m1/s1

InChI Key

VDKZAQZRSGYRSL-SVRRBLITSA-N

Formula

C8H14

SMILES

CCC1CC1C1CC1

Molecular Weight¹

110.20

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• 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
ΔfH°gas	25.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.82	kJ/mol	Joback Calculated Property
ΔvapH°	40.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	101.860	ml/mol	McGowan Calculated Property
Inp	[790.40; 794.70]
Inp	794.70		NIST
Inp	790.40		NIST
Inp	792.70		NIST
Inp	794.70		NIST
Tboil	398.16	K	Relay (1.0) Calculated Property
Tfus	172.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[130.57; 398.19]	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			-9.89290e+01
Coefficient B			1.03912e+00
Coefficient C			-7.96400e-04
Coefficient D			2.54400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.57	J/mol×K	273.00	Calculated Property
Cp,gas	180.28	J/mol×K	353.78	Calculated Property
Cp,gas	223.11	J/mol×K	434.56	Calculated Property
Cp,gas	259.88	J/mol×K	515.33	Calculated Property
Cp,gas	291.39	J/mol×K	596.11	Calculated Property
Cp,gas	318.44	J/mol×K	676.89	Calculated Property
Cp,gas	341.85	J/mol×K	757.67	Calculated Property
Cp,gas	362.40	J/mol×K	838.44	Calculated Property
Cp,gas	380.92	J/mol×K	919.22	Calculated Property
Cp,gas	398.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003103; 0.0005074]	Pa×s	[211.56; 408.86]	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			-7.05870e+00
Coefficient B			-2.15650e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			211.56
Temperature range, max.			408.86
η	0.0003103	Pa×s	211.56	Calculated Property
η	0.0003414	Pa×s	233.48	Calculated Property
η	0.0003696	Pa×s	255.40	Calculated Property
η	0.0003951	Pa×s	277.33	Calculated Property
η	0.0004183	Pa×s	299.25	Calculated Property
η	0.0004394	Pa×s	321.17	Calculated Property
η	0.0004586	Pa×s	343.09	Calculated Property
η	0.0004763	Pa×s	365.02	Calculated Property
η	0.0004925	Pa×s	386.94	Calculated Property
η	0.0005074	Pa×s	408.86	Calculated Property

Similar Compounds

Find more compounds similar to (trans-1,2-methylene)butyl-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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