Chemical Properties of 4-Tridecyne (CAS 60186-79-0)

InChI

InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11-13H2,1-2H3

InChI Key

HKALLPVHYMSWLE-UHFFFAOYSA-N

Formula

C13H24

SMILES

CCCC#CCCCCCCCC

Molecular Weight¹

180.33

CAS

60186-79-0

Other Names

• 3-Tridecyne
• 4-C13H24
• Tridec-4-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_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°	261.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-39.35	kJ/mol	Joback Calculated Property
ΔfusH°	32.55	kJ/mol	Joback Calculated Property
ΔvapH°	46.68	kJ/mol	Joback Calculated Property
IE	9.07 ± 0.03	eV	NIST
log10WS	-5.06		Crippen Calculated Property
logPoct/wat	4.540		Crippen Calculated Property
McVol	185.430	ml/mol	McGowan Calculated Property
Pc	1880.53	kPa	Joback Calculated Property
Inp	[1302.00; 1337.00]
Inp	1312.00		NIST
Inp	1302.00		NIST
Inp	Outlier 1337.00		NIST
Inp	1328.00		NIST
Inp	1316.00		NIST
Inp	1315.00		NIST
Inp	1315.00		NIST
Inp	1307.00		NIST
Inp	1307.00		NIST
Inp	1307.00		NIST
I	[1458.00; 1505.00]
I	1479.70		NIST
I	1498.50		NIST
I	1497.90		NIST
I	1505.00		NIST
I	1505.00		NIST
I	1505.00		NIST
I	1505.00		NIST
I	1505.00		NIST
I	1486.00		NIST
I	1486.00		NIST
I	1487.00		NIST
I	1487.00		NIST
I	1487.00		NIST
I	1476.50		NIST
I	1495.30		NIST
I	1479.70		NIST
I	1498.50		NIST
I	Outlier 1458.00		NIST
I	1475.80		NIST
I	1461.20		NIST
I	1478.70		NIST
Tboil	505.84	K	Joback Calculated Property
Tc	685.15	K	Joback Calculated Property
Tfus	342.37	K	Joback Calculated Property
Vc	0.726	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.07; 516.62]	J/mol×K	[505.84; 685.15]
Cp,gas	424.07	J/mol×K	505.84	Joback Calculated Property
Cp,gas	441.19	J/mol×K	535.72	Joback Calculated Property
Cp,gas	457.61	J/mol×K	565.61	Joback Calculated Property
Cp,gas	473.34	J/mol×K	595.49	Joback Calculated Property
Cp,gas	488.41	J/mol×K	625.38	Joback Calculated Property
Cp,gas	502.83	J/mol×K	655.26	Joback Calculated Property
Cp,gas	516.62	J/mol×K	685.15	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[388.92; 534.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58923e+01
Coefficient B			-4.76991e+03
Coefficient C			-8.32500e+01
Temperature range, min.			388.92
Temperature range, max.			534.05
Pvap	1.33	kPa	388.92	Calculated Property
Pvap	2.91	kPa	405.05	Calculated Property
Pvap	5.91	kPa	421.17	Calculated Property
Pvap	11.24	kPa	437.30	Calculated Property
Pvap	20.22	kPa	453.42	Calculated Property
Pvap	34.63	kPa	469.55	Calculated Property
Pvap	56.79	kPa	485.67	Calculated Property
Pvap	89.66	kPa	501.80	Calculated Property
Pvap	136.84	kPa	517.92	Calculated Property
Pvap	202.62	kPa	534.05	Calculated Property

Similar Compounds

Find more compounds similar to 4-Tridecyne.

Sources

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

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