Chemical Properties of 5-Decyne (CAS 1942-46-7)

InChI

InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3

InChI Key

JWBQJUFCNOLNNC-UHFFFAOYSA-N

Formula

C10H18

SMILES

CCCCC#CCCCC

Molecular Weight¹

138.25

CAS

1942-46-7

Other Names

• 1,2-Dibutylacetylene
• 5-C10H18
• Dibutylacetylene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	236.12	kJ/mol	Joback Calculated Property
ΔfH°gas	18.70 ± 3.30	kJ/mol	NIST
ΔfusH°	24.78	kJ/mol	Joback Calculated Property
ΔvapH°	40.01	kJ/mol	Joback Calculated Property
IE	[9.12; 9.14]	eV
IE	9.14 ± 0.02	eV	NIST
IE	9.12 ± 0.01	eV	NIST
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	3.370		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Pc	2455.60	kPa	Joback Calculated Property
Inp	[1007.00; 1031.00]
Inp	1008.00		NIST
Inp	Outlier 1031.00		NIST
Inp	1008.00		NIST
Inp	1008.00		NIST
Inp	1008.00		NIST
Inp	1007.00		NIST
Inp	1008.00		NIST
Inp	1013.00		NIST
Inp	1013.00		NIST
Inp	1013.00		NIST
I	[1168.40; 1191.00]
I	1191.00		NIST
I	1191.00		NIST
I	1191.00		NIST
I	1191.00		NIST
I	1190.00		NIST
I	Outlier 1168.40		NIST
I	1182.70		NIST
I	1171.00		NIST
I	1186.10		NIST
I	1188.10		NIST
Tboil	453.00 ± 3.00	K	NIST
Tc	621.64	K	Joback Calculated Property
Tfus	[196.00; 200.00]	K
Tfus	196.00 ± 3.00	K	NIST
Tfus	200.00 ± 1.50	K	NIST
Vc	0.557	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.31; 366.61]	J/mol×K	[437.20; 621.64]
Cp,gas	288.31	J/mol×K	437.20	Joback Calculated Property
Cp,gas	302.76	J/mol×K	467.94	Joback Calculated Property
Cp,gas	316.63	J/mol×K	498.68	Joback Calculated Property
Cp,gas	329.93	J/mol×K	529.42	Joback Calculated Property
Cp,gas	342.68	J/mol×K	560.16	Joback Calculated Property
Cp,gas	354.90	J/mol×K	590.90	Joback Calculated Property
Cp,gas	366.61	J/mol×K	621.64	Joback Calculated Property
ΔvapH	45.50	kJ/mol	482.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[373.00; 450.00]	K	[11.00; 100.00]
Tboilr	373.00	K	11.00	NIST
Tboilr	450.00	K	100.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[340.12; 476.53]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53961e+01
Coefficient B			-4.13713e+03
Coefficient C			-6.62920e+01
Temperature range, min.			340.12
Temperature range, max.			476.53
Pvap	1.33	kPa	340.12	Calculated Property
Pvap	2.94	kPa	355.28	Calculated Property
Pvap	6.01	kPa	370.43	Calculated Property
Pvap	11.46	kPa	385.59	Calculated Property
Pvap	20.62	kPa	400.75	Calculated Property
Pvap	35.25	kPa	415.90	Calculated Property
Pvap	57.64	kPa	431.06	Calculated Property
Pvap	90.63	kPa	446.22	Calculated Property
Pvap	137.62	kPa	461.37	Calculated Property
Pvap	202.63	kPa	476.53	Calculated Property

Similar Compounds

Find more compounds similar to 5-Decyne.

Sources

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

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