Chemical Properties of 6-C14H26 (CAS 3730-08-3)

InChI

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

InChI Key

VLEOUZJFQJTURI-UHFFFAOYSA-N

Formula

C14H26

SMILES

CCCCCC#CCCCCCCC

Molecular Weight¹

194.36

CAS

3730-08-3

Other Names

• 6-Tetradecyne

• 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
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	9.09 ± 0.02	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	[1401.00; 1417.00]
Inp	1417.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1402.00		NIST
I	[1543.00; 1577.00]
I	1546.90		NIST
I	1564.30		NIST
I	1565.10		NIST
I	1574.00		NIST
I	1574.00		NIST
I	1576.00		NIST
I	1576.00		NIST
I	1577.00		NIST
I	1543.00		NIST
I	1546.90		NIST
I	1564.30		NIST
I	1546.90		NIST
I	1576.00		NIST
I	1564.30		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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[392.15; 554.82]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61916e+01
Coefficient B			-5.60300e+03
Coefficient C			-3.98500e+01
Temperature range, min.			392.15
Temperature range, max.			554.82
Pvap	1.33	kPa	392.15	Calculated Property
Pvap	2.90	kPa	410.22	Calculated Property
Pvap	5.86	kPa	428.30	Calculated Property
Pvap	11.12	kPa	446.37	Calculated Property
Pvap	20.00	kPa	464.45	Calculated Property
Pvap	34.27	kPa	482.52	Calculated Property
Pvap	56.31	kPa	500.60	Calculated Property
Pvap	89.12	kPa	518.67	Calculated Property
Pvap	136.40	kPa	536.75	Calculated Property
Pvap	202.63	kPa	554.82	Calculated Property

Similar Compounds

Find more compounds similar to 6-C14H26.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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