Chemical Properties of 1-Pentyne, 4-methyl- (CAS 7154-75-8)

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3

InChI Key

OXRWICUICBZVAE-UHFFFAOYSA-N

Formula

C6H10

SMILES

C#CCC(C)C

Molecular Weight¹

82.14

CAS

7154-75-8

Other Names

• (CH3)2CHCH2C«equiv»CH
• (CH3)2CHCH2C«equiv»CH
• 4-METHYL-1-PENTYNE
• ISOBUTYLACETYLENE
• ISOBUTYLETHYNE

• 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).
• 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).
• 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
ΔfG°	220.27	kJ/mol	Joback Calculated Property
ΔfH°gas	119.45	kJ/mol	Joback Calculated Property
ΔfusH°	10.75	kJ/mol	Joback Calculated Property
ΔvapH°	28.42	kJ/mol	Joback Calculated Property
IE	[9.83; 10.05]	eV
IE	9.83 ± 0.05	eV	NIST
IE	10.05 ± 0.01	eV	NIST
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.666		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3727.11	kPa	Joback Calculated Property
Inp	[550.00; 553.00]
Inp	550.00		NIST
Inp	552.00		NIST
Inp	552.00		NIST
Inp	553.00		NIST
Inp	553.00		NIST
Tboil	[334.30; 334.90]	K
Tboil	334.40	K	NIST
Tboil	334.32 ± 0.30	K	NIST
Tboil	334.45 ± 0.50	K	NIST
Tboil	334.30 ± 0.50	K	NIST
Tboil	334.90 ± 2.00	K	NIST
Tc	505.86	K	Joback Calculated Property
Tfus	167.85 ± 0.40	K	NIST
Vc	0.328	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.67; 188.19]	J/mol×K	[326.36; 505.86]
Cp,gas	138.67	J/mol×K	326.36	Joback Calculated Property
Cp,gas	147.86	J/mol×K	356.28	Joback Calculated Property
Cp,gas	156.66	J/mol×K	386.19	Joback Calculated Property
Cp,gas	165.08	J/mol×K	416.11	Joback Calculated Property
Cp,gas	173.13	J/mol×K	446.03	Joback Calculated Property
Cp,gas	180.83	J/mol×K	475.94	Joback Calculated Property
Cp,gas	188.19	J/mol×K	505.86	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[243.38; 357.92]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37819e+01
Coefficient B			-2.60607e+03
Coefficient C			-5.02550e+01
Temperature range, min.			243.38
Temperature range, max.			357.92
Pvap	1.33	kPa	243.38	Calculated Property
Pvap	3.07	kPa	256.11	Calculated Property
Pvap	6.42	kPa	268.83	Calculated Property
Pvap	12.37	kPa	281.56	Calculated Property
Pvap	22.26	kPa	294.29	Calculated Property
Pvap	37.79	kPa	307.01	Calculated Property
Pvap	61.03	kPa	319.74	Calculated Property
Pvap	94.39	kPa	332.47	Calculated Property
Pvap	140.60	kPa	345.19	Calculated Property
Pvap	202.64	kPa	357.92	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentyne, 4-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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