Chemical Properties of di-t-Butylacetylene (CAS 17530-24-4)

InChI

InChI=1S/C10H18/c1-9(2,3)7-8-10(4,5)6/h1-6H3

InChI Key

FXVDWKZNFZMSOU-UHFFFAOYSA-N

Formula

C10H18

SMILES

CC(C)(C)C#CC(C)(C)C

Molecular Weight¹

138.25

CAS

17530-24-4

Other Names

• 2,2,5,5-Tetramethyl-2-hexyne
• (tert-C4H9)C«equiv»C(tert-C4H9)

• 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).
• 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°	241.80	kJ/mol	Joback Calculated Property
ΔfH°gas	5.07	kJ/mol	Joback Calculated Property
ΔfusH°	9.95	kJ/mol	Joback Calculated Property
ΔvapH°	37.41	kJ/mol	Joback Calculated Property
IE	[8.98; 9.19]	eV
IE	8.98	eV	NIST
IE	9.05 ± 0.01	eV	NIST
IE	9.19 ± 0.04	eV	NIST
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	3.082		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Pc	2550.76	kPa	Joback Calculated Property
Tboil	430.74	K	Joback Calculated Property
Tc	640.96	K	Joback Calculated Property
Tfus	292.60 ± 0.40	K	NIST
Vc	0.535	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.41; 382.78]	J/mol×K	[430.74; 640.96]
Cp,gas	292.41	J/mol×K	430.74	Joback Calculated Property
Cp,gas	310.03	J/mol×K	465.78	Joback Calculated Property
Cp,gas	326.55	J/mol×K	500.81	Joback Calculated Property
Cp,gas	342.02	J/mol×K	535.85	Joback Calculated Property
Cp,gas	356.51	J/mol×K	570.88	Joback Calculated Property
Cp,gas	370.08	J/mol×K	605.92	Joback Calculated Property
Cp,gas	382.78	J/mol×K	640.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to di-t-Butylacetylene.

Sources

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

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