Chemical Properties of 5-Undecyne (CAS 2294-72-6)

InChI

InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-9H2,1-2H3

InChI Key

VRQLDBSWBBKOCR-UHFFFAOYSA-N

Formula

C11H20

SMILES

CCCCC#CCCCCC

Molecular Weight¹

152.28

CAS

2294-72-6

Other Names

• 5-C11H20

• 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°	244.54	kJ/mol	Joback Calculated Property
ΔfH°gas	1.93	kJ/mol	Joback Calculated Property
ΔfusH°	27.37	kJ/mol	Joback Calculated Property
ΔvapH°	42.23	kJ/mol	Joback Calculated Property
IE	9.11 ± 0.02	eV	NIST
log10WS	-4.22		Crippen Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	157.250	ml/mol	McGowan Calculated Property
Pc	2237.64	kPa	Joback Calculated Property
Inp	[1104.00; 1127.00]
Inp	1104.00		NIST
Inp	Outlier 1127.00		NIST
Inp	1104.00		NIST
Inp	1104.00		NIST
Inp	1104.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
I	[1261.10; 1287.00]
I	1286.00		NIST
I	1286.00		NIST
I	1286.00		NIST
I	1287.00		NIST
I	1286.00		NIST
I	1286.00		NIST
I	1261.10		NIST
I	1277.50		NIST
I	1263.60		NIST
I	1278.80		NIST
I	1266.00		NIST
I	1280.40		NIST
Tboil	[469.00; 471.20]	K
Tboil	471.00	K	NIST
Tboil	471.20	K	NIST
Tboil	469.00 ± 2.00	K	NIST
Tboil	469.00 ± 2.00	K	NIST
Tc	642.86	K	Joback Calculated Property
Tfus	319.83	K	Joback Calculated Property
Vc	0.614	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.56; 415.23]	J/mol×K	[460.08; 642.86]
Cp,gas	331.56	J/mol×K	460.08	Joback Calculated Property
Cp,gas	347.02	J/mol×K	490.54	Joback Calculated Property
Cp,gas	361.85	J/mol×K	521.01	Joback Calculated Property
Cp,gas	376.06	J/mol×K	551.47	Joback Calculated Property
Cp,gas	389.69	J/mol×K	581.93	Joback Calculated Property
Cp,gas	402.74	J/mol×K	612.39	Joback Calculated Property
Cp,gas	415.23	J/mol×K	642.86	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[351.00; 351.50]	K	[1.30; 1.30]
Tboilr	351.00	K	1.30	NIST
Tboilr	351.50	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[356.92; 498.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54154e+01
Coefficient B			-4.30826e+03
Coefficient C			-7.21300e+01
Temperature range, min.			356.92
Temperature range, max.			498.52
Pvap	1.33	kPa	356.92	Calculated Property
Pvap	2.94	kPa	372.65	Calculated Property
Pvap	6.01	kPa	388.39	Calculated Property
Pvap	11.45	kPa	404.12	Calculated Property
Pvap	20.60	kPa	419.85	Calculated Property
Pvap	35.23	kPa	435.59	Calculated Property
Pvap	57.61	kPa	451.32	Calculated Property
Pvap	90.59	kPa	467.05	Calculated Property
Pvap	137.59	kPa	482.79	Calculated Property
Pvap	202.63	kPa	498.52	Calculated Property

Similar Compounds

Find more compounds similar to 5-Undecyne.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.