Chemical Properties of cis-3-Isopropylhexa-1,4-diene

InChI

InChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h5-9H,2H2,1,3-4H3/b7-5-

InChI Key

WUHBPVXKLJAZIG-ALCCZGGFSA-N

Formula

C9H16

SMILES

C=CC(/C=C\C)C(C)C

Molecular Weight¹

124.23

• 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_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	0.2559		Relay (1.0) Calculated Property
ΔfG°	188.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-9.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.94	kJ/mol	Joback Calculated Property
ΔvapH°	44.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
logPoct/wat	3.021		Crippen Calculated Property
McVol	129.070	ml/mol	McGowan Calculated Property
Pc	2571.50	kPa	Joback Calculated Property
Ip	[947.00; 947.00]
Ip	947.00		NIST
Ip	947.00		NIST
Tboil	402.14	K	Relay (1.0) Calculated Property
Tc	561.29	K	Relay (1.0) Calculated Property
Tfus	168.78	K	Relay (1.0) Calculated Property
Vc	0.440	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.96; 425.63]	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			-2.58300e+01
Coefficient B			8.70660e-01
Coefficient C			-5.78900e-04
Coefficient D			1.59700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.96	J/mol×K	273.00	Calculated Property
Cp,gas	216.81	J/mol×K	353.78	Calculated Property
Cp,gas	256.31	J/mol×K	434.56	Calculated Property
Cp,gas	290.97	J/mol×K	515.33	Calculated Property
Cp,gas	321.30	J/mol×K	596.11	Calculated Property
Cp,gas	347.80	J/mol×K	676.89	Calculated Property
Cp,gas	370.98	J/mol×K	757.67	Calculated Property
Cp,gas	391.34	J/mol×K	838.44	Calculated Property
Cp,gas	409.39	J/mol×K	919.22	Calculated Property
Cp,gas	425.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0180922; 0.0001753]	Pa×s	[154.35; 411.91]	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			-1.14279e+01
Coefficient B			1.14460e+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.			154.35
Temperature range, max.			411.91
η	0.0180922	Pa×s	154.35	Calculated Property
η	0.0056724	Pa×s	182.97	Calculated Property
η	0.0024339	Pa×s	211.59	Calculated Property
η	0.0012776	Pa×s	240.20	Calculated Property
η	0.0007693	Pa×s	268.82	Calculated Property
η	0.0005107	Pa×s	297.44	Calculated Property
η	0.0003643	Pa×s	326.06	Calculated Property
η	0.0002745	Pa×s	354.68	Calculated Property
η	0.0002157	Pa×s	383.29	Calculated Property
η	0.0001753	Pa×s	411.91	Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Isopropylhexa-1,4-diene.

Sources

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

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