Chemical Properties of 1,3-Cyclopentadiene, 5-hexyl

InChI

InChI=1S/C11H18/c1-2-3-4-5-8-11-9-6-7-10-11/h6-7,9-11H,2-5,8H2,1H3

InChI Key

PSNDKUWTDGITIY-UHFFFAOYSA-N

Formula

C11H18

SMILES

CCCCCCC1C=CC=C1

Molecular Weight¹

150.26

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3746		Relay (1.0) Calculated Property
ΔfG°	138.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-2.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.62	kJ/mol	Joback Calculated Property
ΔvapH°	52.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	3.699		Crippen Calculated Property
McVol	146.390	ml/mol	McGowan Calculated Property
Pc	2445.89	kPa	Joback Calculated Property
Inp	[1128.00; 1128.00]
Inp	1128.00		NIST
Inp	1128.00		NIST
Ip	1339.10		NIST
Tboil	454.98	K	Relay (1.0) Calculated Property
Tc	648.93	K	Relay (1.0) Calculated Property
Tfus	213.36	K	Relay (1.0) Calculated Property
Vc	0.557	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.66; 507.52]	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			-5.20350e+01
Coefficient B			1.06852e+00
Coefficient C			-6.76560e-04
Coefficient D			1.67600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.66	J/mol×K	273.00	Calculated Property
Cp,gas	248.73	J/mol×K	353.78	Calculated Property
Cp,gas	298.29	J/mol×K	434.56	Calculated Property
Cp,gas	341.87	J/mol×K	515.33	Calculated Property
Cp,gas	380.01	J/mol×K	596.11	Calculated Property
Cp,gas	413.23	J/mol×K	676.89	Calculated Property
Cp,gas	442.06	J/mol×K	757.67	Calculated Property
Cp,gas	467.03	J/mol×K	838.44	Calculated Property
Cp,gas	488.68	J/mol×K	919.22	Calculated Property
Cp,gas	507.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031867; 0.0002916]	Pa×s	[226.15; 459.22]	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			-1.04606e+01
Coefficient B			1.06558e+03
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.			226.15
Temperature range, max.			459.22
η	0.0031867	Pa×s	226.15	Calculated Property
η	0.0019638	Pa×s	252.05	Calculated Property
η	0.0013244	Pa×s	277.94	Calculated Property
η	0.0009552	Pa×s	303.84	Calculated Property
η	0.0007253	Pa×s	329.74	Calculated Property
η	0.0005732	Pa×s	355.63	Calculated Property
η	0.0004677	Pa×s	381.53	Calculated Property
η	0.0003916	Pa×s	407.42	Calculated Property
η	0.0003350	Pa×s	433.32	Calculated Property
η	0.0002916	Pa×s	459.22	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentadiene, 5-hexyl.

Sources

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

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