Chemical Properties of Pent-2-ynal, 4,4-dimethyl- (CAS 2579-21-7)

InChI

InChI=1S/C7H10O/c1-7(2,3)5-4-6-8/h6H,1-3H3

InChI Key

DTMPOWDLMOYPDD-UHFFFAOYSA-N

Formula

C7H10O

SMILES

CC(C)(C)C#CC=O

Molecular Weight¹

110.15

CAS

2579-21-7

Other Names

• 4,4-Dimethyl-2-pentynal

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.36; 249.56]	J/mol×K	[413.99; 623.99]
Cp,gas	192.36	J/mol×K	413.99	Joback Calculated Property
Cp,gas	203.42	J/mol×K	448.99	Joback Calculated Property
Cp,gas	213.83	J/mol×K	483.99	Joback Calculated Property
Cp,gas	223.62	J/mol×K	518.99	Joback Calculated Property
Cp,gas	232.82	J/mol×K	553.99	Joback Calculated Property
Cp,gas	241.45	J/mol×K	588.99	Joback Calculated Property
Cp,gas	249.56	J/mol×K	623.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pent-2-ynal, 4,4-dimethyl-.

Sources

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

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