Chemical Properties of 3-Tetradecyne (CAS 60212-32-0)

InChI

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

InChI Key

DWWMJIDVLGUCDE-UHFFFAOYSA-N

Formula

C14H26

SMILES

CCC#CCCCCCCCCCC

Molecular Weight¹

194.36

CAS

60212-32-0

Other Names

• 3-C14H26

• 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).
• P_vap : Vapor 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
ω	0.5396		Relay (1.0) Calculated Property
ΔfG°	269.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-63.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.14	kJ/mol	Joback Calculated Property
ΔvapH°	69.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.17 ± 0.02	eV	NIST
log10WS	-6.21		Relay (1.0) 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	[1414.00; 1437.00]
Inp	1437.00		NIST
Inp	1415.00		NIST
Inp	1414.00		NIST
Inp	1414.00		NIST
I	[1572.20; 1605.00]
I	1576.40		NIST
I	1596.00		NIST
I	1596.50		NIST
I	1604.00		NIST
I	1604.00		NIST
I	1605.00		NIST
I	1604.00		NIST
I	1605.00		NIST
I	1572.20		NIST
I	1576.40		NIST
I	1596.00		NIST
I	1576.40		NIST
I	1605.00		NIST
I	1596.00		NIST
Tboil	500.82	K	Relay (1.0) Calculated Property
Tc	706.36	K	Relay (1.0) Calculated Property
Tfus	250.98	K	Relay (1.0) Calculated Property
Vc	0.775	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.24; 569.41]	J/mol×K	[528.92; 706.61]
Cp,gas	473.24	J/mol×K	528.92	Joback Calculated Property
Cp,gas	491.04	J/mol×K	558.54	Joback Calculated Property
Cp,gas	508.11	J/mol×K	588.15	Joback Calculated Property
Cp,gas	524.46	J/mol×K	617.77	Joback Calculated Property
Cp,gas	540.11	J/mol×K	647.38	Joback Calculated Property
Cp,gas	555.09	J/mol×K	677.00	Joback Calculated Property
Cp,gas	569.41	J/mol×K	706.61	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[402.52; 552.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58335e+01
Coefficient B			-4.88986e+03
Coefficient C			-8.79760e+01
Temperature range, min.			402.52
Temperature range, max.			552.70
Pvap	1.33	kPa	402.52	Calculated Property
Pvap	2.92	kPa	419.21	Calculated Property
Pvap	5.92	kPa	435.89	Calculated Property
Pvap	11.27	kPa	452.58	Calculated Property
Pvap	20.27	kPa	469.27	Calculated Property
Pvap	34.70	kPa	485.95	Calculated Property
Pvap	56.89	kPa	502.64	Calculated Property
Pvap	89.77	kPa	519.33	Calculated Property
Pvap	136.93	kPa	536.01	Calculated Property
Pvap	202.63	kPa	552.70	Calculated Property

Similar Compounds

Find more compounds similar to 3-Tetradecyne.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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