Chemical Properties of 4-Methyl-2-pentyne (CAS 21020-27-9)

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3

InChI Key

SLMFWJQZLPEDDU-UHFFFAOYSA-N

Formula

C6H10

SMILES

CC#CC(C)C

Molecular Weight¹

82.14

CAS

21020-27-9

Other Names

• 2-Pentyne, 4-methyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.89	kJ/mol	Joback Calculated Property
IE	[9.31; 9.35]	eV
IE	9.31 ± 0.05	eV	NIST
IE	9.35 ± 0.01	eV	NIST
logPoct/wat	1.666		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Inp	[594.00; 615.00]
Inp	594.00		NIST
Inp	615.00		NIST
Inp	615.00		NIST
Tboil	[345.40; 346.28]	K
Tboil	346.00	K	NIST
Tboil	345.90 ± 0.30	K	NIST
Tboil	346.28 ± 0.30	K	NIST
Tboil	346.15 ± 0.40	K	NIST
Tboil	345.40 ± 1.00	K	NIST
Tfus	162.78 ± 0.30	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.93; 189.10]	J/mol×K	[345.44; 539.27]
Cp,gas	137.93	J/mol×K	345.44	Joback Calculated Property
Cp,gas	147.32	J/mol×K	377.74	Joback Calculated Property
Cp,gas	156.36	J/mol×K	410.05	Joback Calculated Property
Cp,gas	165.04	J/mol×K	442.35	Joback Calculated Property
Cp,gas	173.39	J/mol×K	474.66	Joback Calculated Property
Cp,gas	181.41	J/mol×K	506.96	Joback Calculated Property
Cp,gas	189.10	J/mol×K	539.27	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[251.02; 369.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37418e+01
Coefficient B			-2.66783e+03
Coefficient C			-5.27350e+01
Temperature range, min.			251.02
Temperature range, max.			369.19
Pvap	1.33	kPa	251.02	Calculated Property
Pvap	3.07	kPa	264.15	Calculated Property
Pvap	6.43	kPa	277.28	Calculated Property
Pvap	12.39	kPa	290.41	Calculated Property
Pvap	22.30	kPa	303.54	Calculated Property
Pvap	37.86	kPa	316.67	Calculated Property
Pvap	61.12	kPa	329.80	Calculated Property
Pvap	94.49	kPa	342.93	Calculated Property
Pvap	140.68	kPa	356.06	Calculated Property
Pvap	202.64	kPa	369.19	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-2-pentyne.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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