Chemical Properties of 3-Hexyne, 2,2-dimethyl- (CAS 4911-60-8)

InChI

InChI=1S/C8H14/c1-5-6-7-8(2,3)4/h5H2,1-4H3

InChI Key

XYBFBXTUWDPXLK-UHFFFAOYSA-N

Formula

C8H14

SMILES

CCC#CC(C)(C)C

Molecular Weight¹

110.20

CAS

4911-60-8

• 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).
• 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°	222.12	kJ/mol	Joback Calculated Property
ΔfH°gas	55.10	kJ/mol	Joback Calculated Property
ΔfusH°	12.18	kJ/mol	Joback Calculated Property
ΔvapH°	34.26	kJ/mol	Joback Calculated Property
IE	9.18 ± 0.01	eV	NIST
log10WS	-2.72		Crippen Calculated Property
logPoct/wat	2.446		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	3062.55	kPa	Joback Calculated Property
Inp	[675.00; 675.00]
Inp	675.00		NIST
Inp	675.00		NIST
Tboil	388.21	K	Joback Calculated Property
Tc	588.56	K	Joback Calculated Property
Tfus	288.44	K	Joback Calculated Property
Vc	0.434	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.81; 281.56]	J/mol×K	[388.21; 588.56]
Cp,gas	209.81	J/mol×K	388.21	Joback Calculated Property
Cp,gas	223.46	J/mol×K	421.60	Joback Calculated Property
Cp,gas	236.39	J/mol×K	454.99	Joback Calculated Property
Cp,gas	248.63	J/mol×K	488.38	Joback Calculated Property
Cp,gas	260.22	J/mol×K	521.78	Joback Calculated Property
Cp,gas	271.19	J/mol×K	555.17	Joback Calculated Property
Cp,gas	281.56	J/mol×K	588.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexyne, 2,2-dimethyl-.

Sources

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

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