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_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).
• 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
ΔfH°gas	35.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.95	kJ/mol	Joback Calculated Property
ΔvapH°	44.26	kJ/mol	Relay (1.0) 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
logPoct/wat	3.082		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Tboil	414.42	K	Relay (1.0) Calculated Property
Tfus	292.60 ± 0.40	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[292.51; 382.88]	J/mol×K	[430.94; 641.25]
Cp,gas	292.51	J/mol×K	430.94	Joback Calculated Property
Cp,gas	310.13	J/mol×K	465.99	Joback Calculated Property
Cp,gas	326.65	J/mol×K	501.04	Joback Calculated Property
Cp,gas	342.13	J/mol×K	536.10	Joback Calculated Property
Cp,gas	356.62	J/mol×K	571.15	Joback Calculated Property
Cp,gas	370.19	J/mol×K	606.20	Joback Calculated Property
Cp,gas	382.88	J/mol×K	641.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to di-t-Butylacetylene.

Sources

• Cheméo Relay (1.0)
• 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
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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