Chemical Properties of 3,3,4-Trimethylpent-1-ene (CAS 560-22-5)

InChI

InChI=1S/C8H16/c1-6-8(4,5)7(2)3/h6-7H,1H2,2-5H3

InChI Key

LLFHCOGPDCJMKY-UHFFFAOYSA-N

Formula

C8H16

SMILES

C=CC(C)(C)C(C)C

Molecular Weight¹

112.21

CAS

560-22-5

Other Names

• 1-Pentene, 3,3,4-trimethyl-
• 3,3,4-trimethyl-1-pentene

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2323		Relay (1.0) Calculated Property
ΔfG°	104.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.26	kJ/mol	Joback Calculated Property
ΔvapH°	37.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2721.17	kPa	Joback Calculated Property
Inp	[722.50; 725.20]
Inp	725.20		NIST
Inp	722.50		NIST
Inp	724.00		NIST
Tboil	[378.00; 378.60]	K
Tboil	378.00 ± 2.00	K	NIST
Tboil	378.60 ± 0.80	K	NIST
Tc	561.30	K	Relay (1.0) Calculated Property
Tfus	166.35	K	Relay (1.0) Calculated Property
Vc	0.420	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	[163.61; 405.55]	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			-3.35300e+01
Coefficient B			8.75580e-01
Coefficient C			-6.09300e-04
Coefficient D			1.72800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.61	J/mol×K	273.00	Calculated Property
Cp,gas	207.62	J/mol×K	353.78	Calculated Property
Cp,gas	246.08	J/mol×K	434.56	Calculated Property
Cp,gas	279.52	J/mol×K	515.33	Calculated Property
Cp,gas	308.50	J/mol×K	596.11	Calculated Property
Cp,gas	333.56	J/mol×K	676.89	Calculated Property
Cp,gas	355.25	J/mol×K	757.67	Calculated Property
Cp,gas	374.12	J/mol×K	838.44	Calculated Property
Cp,gas	390.70	J/mol×K	919.22	Calculated Property
Cp,gas	405.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0195893; 0.0002306]	Pa×s	[165.58; 390.54]	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			-1.16446e+01
Coefficient B			1.27692e+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.			165.58
Temperature range, max.			390.54
η	0.0195893	Pa×s	165.58	Calculated Property
η	0.0071244	Pa×s	190.58	Calculated Property
η	0.0032760	Pa×s	215.57	Calculated Property
η	0.0017703	Pa×s	240.57	Calculated Property
η	0.0010742	Pa×s	265.56	Calculated Property
η	0.0007103	Pa×s	290.56	Calculated Property
η	0.0005015	Pa×s	315.55	Calculated Property
η	0.0003726	Pa×s	340.55	Calculated Property
η	0.0002883	Pa×s	365.54	Calculated Property
η	0.0002306	Pa×s	390.54	Calculated Property

Similar Compounds

Find more compounds similar to 3,3,4-Trimethylpent-1-ene.

Sources

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

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