Chemical Properties of 4-Tetradecyne (CAS 60212-33-1)

InChI

InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-7,9,11-14H2,1-2H3

InChI Key

QWZXVDGVISCHQH-UHFFFAOYSA-N

Formula

C14H26

SMILES

CCCC#CCCCCCCCCC

Molecular Weight¹

194.36

CAS

60212-33-1

Other Names

• 4-C14H26

• 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.
• I : 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°	269.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-59.99	kJ/mol	Joback Calculated Property
ΔfusH°	35.14	kJ/mol	Joback Calculated Property
ΔvapH°	48.91	kJ/mol	Joback Calculated Property
IE	9.11 ± 0.03	eV	NIST
log10WS	-5.48		Crippen Calculated Property
logPoct/wat	4.931		Crippen Calculated Property
McVol	199.520	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[1406.00; 1427.00]
Inp	1427.00		NIST
Inp	1407.00		NIST
Inp	1406.00		NIST
Inp	1407.00		NIST
I	[1553.60; 1586.00]
I	1557.80		NIST
I	1576.00		NIST
I	1576.30		NIST
I	1584.00		NIST
I	1585.00		NIST
I	1586.00		NIST
I	1586.00		NIST
I	1586.00		NIST
I	1553.60		NIST
I	1557.80		NIST
I	1576.00		NIST
Tboil	528.72	K	Joback Calculated Property
Tc	706.35	K	Joback Calculated Property
Tfus	353.64	K	Joback Calculated Property
Vc	0.781	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.12; 569.28]	J/mol×K	[528.72; 706.35]
Cp,gas	473.12	J/mol×K	528.72	Joback Calculated Property
Cp,gas	490.92	J/mol×K	558.32	Joback Calculated Property
Cp,gas	507.98	J/mol×K	587.93	Joback Calculated Property
Cp,gas	524.33	J/mol×K	617.53	Joback Calculated Property
Cp,gas	539.98	J/mol×K	647.14	Joback Calculated Property
Cp,gas	554.96	J/mol×K	676.74	Joback Calculated Property
Cp,gas	569.28	J/mol×K	706.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Tetradecyne.

Sources

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

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