Chemical Properties of 1-Decyne (CAS 764-93-2)

InChI

InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3

InChI Key

ILLHQJIJCRNRCJ-UHFFFAOYSA-N

Formula

C10H18

SMILES

C#CCCCCCCCC

Molecular Weight¹

138.25

CAS

764-93-2

Other Names

• 1-C10H18
• OCTYLACETYLENE
• dec-1-yne

• ω : Acentric Factor.
• 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).
• n₀ : Refractive Index.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4260		KDB
ΔfG°	256.39	kJ/mol	Joback Calculated Property
ΔfH°gas	41.90 ± 3.40	kJ/mol	NIST
ΔfusH°	24.63	kJ/mol	Joback Calculated Property
ΔvapH°	37.71	kJ/mol	Joback Calculated Property
IE	9.91 ± 0.02	eV	NIST
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	3.370		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Pc	2430.00	kPa	KDB
Inp	[983.00; 1014.00]
Inp	987.90		NIST
Inp	988.60		NIST
Inp	989.00		NIST
Inp	983.00		NIST
Inp	Outlier 1012.00		NIST
Inp	984.00		NIST
Inp	984.00		NIST
Inp	984.00		NIST
Inp	984.00		NIST
Inp	984.00		NIST
Inp	995.00		NIST
Inp	996.00		NIST
Inp	997.00		NIST
Inp	Outlier 1014.00		NIST
Inp	987.90		NIST
Inp	984.00		NIST
Inp	995.00		NIST
I	[1211.10; 1235.00]
I	1215.60		NIST
I	1221.90		NIST
I	1226.30		NIST
I	1234.00		NIST
I	1233.00		NIST
I	1233.00		NIST
I	1232.00		NIST
I	1235.00		NIST
I	1211.10		NIST
I	1228.80		NIST
I	1212.10		NIST
I	1226.80		NIST
I	1230.00		NIST
Tboil	[447.20; 447.60]	K
Tboil	447.20	K	KDB
Tboil	447.60	K	NIST
Tboil	447.20	K	NIST
Tc	632.50	K	KDB
Tfus	229.00	K	KDB
Vc	0.557	m3/kmol	KDB
Zc	0.2576050		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[286.22; 361.83]	J/mol×K	[418.32; 591.70]
Cp,gas	286.22	J/mol×K	418.32	Joback Calculated Property
Cp,gas	300.21	J/mol×K	447.22	Joback Calculated Property
Cp,gas	313.62	J/mol×K	476.11	Joback Calculated Property
Cp,gas	326.47	J/mol×K	505.01	Joback Calculated Property
Cp,gas	338.77	J/mol×K	533.91	Joback Calculated Property
Cp,gas	350.56	J/mol×K	562.80	Joback Calculated Property
Cp,gas	361.83	J/mol×K	591.70	Joback Calculated Property
n0	1.42490		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[330.73; 476.06]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49423e+01
Coefficient B			-4.08278e+03
Coefficient C			-5.21330e+01
Temperature range, min.			330.73
Temperature range, max.			476.06
Pvap	1.33	kPa	330.73	Calculated Property
Pvap	2.98	kPa	346.88	Calculated Property
Pvap	6.11	kPa	363.03	Calculated Property
Pvap	11.68	kPa	379.17	Calculated Property
Pvap	21.02	kPa	395.32	Calculated Property
Pvap	35.88	kPa	411.47	Calculated Property
Pvap	58.49	kPa	427.62	Calculated Property
Pvap	91.58	kPa	443.76	Calculated Property
Pvap	138.39	kPa	459.91	Calculated Property
Pvap	202.64	kPa	476.06	Calculated Property
Pvap	[3.78; 2415.38]	kPa	[351.15; 632.49]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.04556e+01
Coefficient B			-8.14464e+03
Coefficient C			-7.89639e+00
Coefficient D			2.85018e-06
Temperature range, min.			351.15
Temperature range, max.			632.49
Pvap	3.78	kPa	351.15	Calculated Property
Pvap	13.71	kPa	382.41	Calculated Property
Pvap	39.58	kPa	413.67	Calculated Property
Pvap	95.86	kPa	444.93	Calculated Property
Pvap	202.44	kPa	476.19	Calculated Property
Pvap	383.61	kPa	507.45	Calculated Property
Pvap	666.57	kPa	538.71	Calculated Property
Pvap	1080.00	kPa	569.97	Calculated Property
Pvap	1653.11	kPa	601.23	Calculated Property
Pvap	2415.38	kPa	632.49	Calculated Property

Similar Compounds

Find more compounds similar to 1-Decyne.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Activity coefficients at infinite dilution for solutes in the trioctylmethylammonium bis(trifluoromethylsulfonyl)imide ionic liquid using gas liquid chromatography
• Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyltetradecylphosphonium hexafluorophosphate using gas liquid chromatography at T = (313.15, 333.15, 353.15, and 363.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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