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

• 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).
• 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.
• 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
ΔfG°	104.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-97.05	kJ/mol	Joback Calculated Property
ΔfusH°	4.26	kJ/mol	Joback Calculated Property
ΔvapH°	31.05	kJ/mol	Joback Calculated Property
log10WS	-2.54		Crippen 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	557.61	K	Joback Calculated Property
Tfus	165.58	K	Joback Calculated Property
Vc	0.448	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.46; 295.21]	J/mol×K	[375.45; 557.61]
Cp,gas	218.46	J/mol×K	375.45	Joback Calculated Property
Cp,gas	233.00	J/mol×K	405.81	Joback Calculated Property
Cp,gas	246.80	J/mol×K	436.17	Joback Calculated Property
Cp,gas	259.89	J/mol×K	466.53	Joback Calculated Property
Cp,gas	272.30	J/mol×K	496.89	Joback Calculated Property
Cp,gas	284.07	J/mol×K	527.25	Joback Calculated Property
Cp,gas	295.21	J/mol×K	557.61	Joback Calculated Property
η	[0.0002630; 0.0195893]	Pa×s	[165.58; 375.45]
η	0.0195893	Pa×s	165.58	Joback Calculated Property
η	0.0051039	Pa×s	200.56	Joback Calculated Property
η	0.0019828	Pa×s	235.54	Joback Calculated Property
η	0.0009836	Pa×s	270.51	Joback Calculated Property
η	0.0005729	Pa×s	305.49	Joback Calculated Property
η	0.0003729	Pa×s	340.47	Joback Calculated Property
η	0.0002630	Pa×s	375.45	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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