Chemical Properties of 2,3,4-Trimethylpent-1-ene (CAS 565-76-4)

InChI

InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h7-8H,1H2,2-5H3

InChI Key

FAWUHEYSSPPNSH-UHFFFAOYSA-N

Formula

C8H16

SMILES

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

Molecular Weight¹

112.21

CAS

565-76-4

Other Names

• 1-Pentene, 2,3,4-trimethyl-
• 2,3,4-Trimethyl-1-pentene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_vap : Vapor 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	0.2763		Relay (1.0) Calculated Property
ΔfG°	90.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-104.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.84	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
IE	8.99	eV	Relay (1.0) Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2704.22	kPa	Joback Calculated Property
Inp	[724.10; 728.70]
Inp	728.70		NIST
Inp	724.10		NIST
Inp	726.00		NIST
Inp	724.50		NIST
Inp	726.50		NIST
Tboil	[117.00; 381.20]	K
Tboil	381.20 ± 1.50	K	NIST
Tboil	381.00 ± 2.00	K	NIST
Tboil	117.00 ± 3.00	K	NIST
Tc	558.53	K	Relay (1.0) Calculated Property
Tfus	158.30	K	Relay (1.0) Calculated Property
Vc	0.428	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.55; 290.51]	J/mol×K	[378.32; 556.61]
Cp,gas	217.55	J/mol×K	378.32	Joback Calculated Property
Cp,gas	231.06	J/mol×K	408.04	Joback Calculated Property
Cp,gas	244.01	J/mol×K	437.75	Joback Calculated Property
Cp,gas	256.41	J/mol×K	467.47	Joback Calculated Property
Cp,gas	268.29	J/mol×K	497.18	Joback Calculated Property
Cp,gas	279.65	J/mol×K	526.90	Joback Calculated Property
Cp,gas	290.51	J/mol×K	556.61	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[278.44; 407.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37044e+01
Coefficient B			-2.89114e+03
Coefficient C			-6.29560e+01
Temperature range, min.			278.44
Temperature range, max.			407.43
Pvap	1.33	kPa	278.44	Calculated Property
Pvap	3.08	kPa	292.77	Calculated Property
Pvap	6.44	kPa	307.10	Calculated Property
Pvap	12.42	kPa	321.44	Calculated Property
Pvap	22.35	kPa	335.77	Calculated Property
Pvap	37.93	kPa	350.10	Calculated Property
Pvap	61.22	kPa	364.43	Calculated Property
Pvap	94.61	kPa	378.77	Calculated Property
Pvap	140.77	kPa	393.10	Calculated Property
Pvap	202.66	kPa	407.43	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trimethylpent-1-ene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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