Chemical Properties of 1-Tridecyne (CAS 26186-02-7)

InChI

InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3

InChI Key

GZEDKDBFUBPZNG-UHFFFAOYSA-N

Formula

C13H24

SMILES

C#CCCCCCCCCCCC

Molecular Weight¹

180.33

CAS

26186-02-7

Other Names

• 1-C13H24
• tridec-1-yne

• 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_boilr : Boiling point at reduced pressure (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°	281.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-19.75	kJ/mol	Joback Calculated Property
ΔfusH°	32.40	kJ/mol	Joback Calculated Property
ΔvapH°	44.39	kJ/mol	Joback Calculated Property
IE	9.90 ± 0.02	eV	NIST
log10WS	-5.06		Crippen Calculated Property
logPoct/wat	4.540		Crippen Calculated Property
McVol	185.430	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[1283.00; 1313.00]
Inp	1283.00		NIST
Inp	1313.00		NIST
Inp	1296.00		NIST
Inp	1297.00		NIST
Inp	1298.00		NIST
I	[1503.80; 1533.00]
I	1533.00		NIST
I	1533.00		NIST
I	1533.00		NIST
I	1532.00		NIST
I	1533.00		NIST
I	1503.80		NIST
I	1526.10		NIST
I	1506.70		NIST
I	1527.20		NIST
Tboil	486.96	K	Joback Calculated Property
Tc	656.86	K	Joback Calculated Property
Tfus	274.00 ± 3.00	K	NIST
Vc	0.726	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.98; 509.68]	J/mol×K	[486.96; 656.86]
Cp,gas	419.98	J/mol×K	486.96	Joback Calculated Property
Cp,gas	436.58	J/mol×K	515.28	Joback Calculated Property
Cp,gas	452.49	J/mol×K	543.59	Joback Calculated Property
Cp,gas	467.73	J/mol×K	571.91	Joback Calculated Property
Cp,gas	482.33	J/mol×K	600.23	Joback Calculated Property
Cp,gas	496.30	J/mol×K	628.54	Joback Calculated Property
Cp,gas	509.68	J/mol×K	656.86	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[385.73; 535.14]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55192e+01
Coefficient B			-4.62412e+03
Coefficient C			-8.21400e+01
Temperature range, min.			385.73
Temperature range, max.			535.14
Pvap	1.33	kPa	385.73	Calculated Property
Pvap	2.94	kPa	402.33	Calculated Property
Pvap	5.99	kPa	418.93	Calculated Property
Pvap	11.41	kPa	435.53	Calculated Property
Pvap	20.52	kPa	452.13	Calculated Property
Pvap	35.09	kPa	468.74	Calculated Property
Pvap	57.43	kPa	485.34	Calculated Property
Pvap	90.38	kPa	501.94	Calculated Property
Pvap	137.43	kPa	518.54	Calculated Property
Pvap	202.64	kPa	535.14	Calculated Property

Similar Compounds

Find more compounds similar to 1-Tridecyne.

Sources

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

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