Chemical Properties of trans-4-hexenyl-cyclopropane

InChI

InChI=1S/C9H16/c1-2-3-4-5-6-9-7-8-9/h2-3,9H,4-8H2,1H3/b3-2+

InChI Key

WKWFRAVGNCBHOW-NSCUHMNNSA-N

Formula

C9H16

SMILES

CC=CCCCC1CC1

Molecular Weight¹

124.22

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3526		Relay (1.0) Calculated Property
ΔfG°	165.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.40	kJ/mol	Joback Calculated Property
ΔvapH°	47.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	122.510	ml/mol	McGowan Calculated Property
Pc	2770.08	kPa	Joback Calculated Property
Inp	[911.80; 914.60]
Inp	913.20		NIST
Inp	914.60		NIST
Inp	911.80		NIST
Inp	913.20		NIST
Tboil	430.18	K	Relay (1.0) Calculated Property
Tc	624.07	K	Relay (1.0) Calculated Property
Tfus	184.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[158.96; 432.80]	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			-6.97170e+01
Coefficient B			1.02972e+00
Coefficient C			-7.69800e-04
Coefficient D			2.42600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.96	J/mol×K	273.00	Calculated Property
Cp,gas	208.97	J/mol×K	353.78	Calculated Property
Cp,gas	252.29	J/mol×K	434.56	Calculated Property
Cp,gas	289.70	J/mol×K	515.33	Calculated Property
Cp,gas	321.95	J/mol×K	596.11	Calculated Property
Cp,gas	349.82	J/mol×K	676.89	Calculated Property
Cp,gas	374.07	J/mol×K	757.67	Calculated Property
Cp,gas	395.48	J/mol×K	838.44	Calculated Property
Cp,gas	414.80	J/mol×K	919.22	Calculated Property
Cp,gas	432.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015112; 0.0003166]	Pa×s	[204.05; 421.42]	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			-9.52489e+00
Coefficient B			6.18280e+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.			204.05
Temperature range, max.			421.42
η	0.0015112	Pa×s	204.05	Calculated Property
η	0.0010966	Pa×s	228.20	Calculated Property
η	0.0008461	Pa×s	252.35	Calculated Property
η	0.0006831	Pa×s	276.51	Calculated Property
η	0.0005708	Pa×s	300.66	Calculated Property
η	0.0004899	Pa×s	324.81	Calculated Property
η	0.0004294	Pa×s	348.96	Calculated Property
η	0.0003829	Pa×s	373.11	Calculated Property
η	0.0003462	Pa×s	397.26	Calculated Property
η	0.0003166	Pa×s	421.42	Calculated Property

Similar Compounds

Find more compounds similar to trans-4-hexenyl-cyclopropane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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