Chemical Properties of 3-Undecyne (CAS 60212-30-8)

InChI

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

InChI Key

DPWGJNPCPLQVKQ-UHFFFAOYSA-N

Formula

C11H20

SMILES

CCC#CCCCCCCC

Molecular Weight¹

152.28

CAS

60212-30-8

Other Names

• 3-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	9.17 ± 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	[1111.00; 1138.00]
Inp	1114.00		NIST
Inp	Outlier 1138.00		NIST
Inp	1112.00		NIST
Inp	1112.00		NIST
Inp	1111.00		NIST
Inp	1119.00		NIST
Inp	1119.00		NIST
Inp	1117.00		NIST
Inp	1116.00		NIST
Inp	1114.00		NIST
Inp	1119.00		NIST
I	[1281.10; 1306.00]
I	1306.00		NIST
I	1306.00		NIST
I	1306.00		NIST
I	1306.00		NIST
I	1305.00		NIST
I	1305.00		NIST
I	Outlier 1281.10		NIST
I	1283.80		NIST
I	1300.00		NIST
I	1285.80		NIST
I	1301.30		NIST
I	1306.00		NIST
I	1305.00		NIST
I	1301.30		NIST
Tboil	460.08	K	Joback Calculated Property
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[358.52; 500.62]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54172e+01
Coefficient B			-4.32455e+03
Coefficient C			-7.26860e+01
Temperature range, min.			358.52
Temperature range, max.			500.62
Pvap	1.33	kPa	358.52	Calculated Property
Pvap	2.94	kPa	374.31	Calculated Property
Pvap	6.01	kPa	390.10	Calculated Property
Pvap	11.45	kPa	405.89	Calculated Property
Pvap	20.60	kPa	421.68	Calculated Property
Pvap	35.23	kPa	437.46	Calculated Property
Pvap	57.61	kPa	453.25	Calculated Property
Pvap	90.59	kPa	469.04	Calculated Property
Pvap	137.60	kPa	484.83	Calculated Property
Pvap	202.66	kPa	500.62	Calculated Property

Similar Compounds

Find more compounds similar to 3-Undecyne.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.