Chemical Properties of 3-Decyne (CAS 2384-85-2)

InChI

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

InChI Key

JUWXVJKQNKKRLD-UHFFFAOYSA-N

Formula

C10H18

SMILES

CCC#CCCCCCC

Molecular Weight¹

138.25

CAS

2384-85-2

Other Names

• 3-C10H18

• 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°	236.12	kJ/mol	Joback Calculated Property
ΔfH°gas	21.80 ± 3.30	kJ/mol	NIST
ΔfusH°	24.78	kJ/mol	Joback Calculated Property
ΔvapH°	40.01	kJ/mol	Joback Calculated Property
IE	[9.19; 9.19]	eV
IE	9.19 ± 0.02	eV	NIST
IE	9.19 ± 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	[1012.00; 1039.00]
Inp	1014.00		NIST
Inp	Outlier 1039.00		NIST
Inp	1014.00		NIST
Inp	1013.00		NIST
Inp	1013.00		NIST
Inp	1012.00		NIST
Inp	1014.00		NIST
Inp	1020.00		NIST
Inp	1019.00		NIST
Inp	1017.00		NIST
I	[1185.30; 1208.00]
I	1190.30		NIST
I	1196.20		NIST
I	1199.20		NIST
I	1207.00		NIST
I	1207.00		NIST
I	1207.00		NIST
I	1207.00		NIST
I	1208.00		NIST
I	1185.30		NIST
I	1197.50		NIST
I	1187.50		NIST
I	1202.70		NIST
I	1203.10		NIST
Tboil	[176.00; 448.65]	K
Tboil	448.65 ± 1.50	K	NIST
Tboil	176.00 ± 2.00	K	NIST
Tc	621.64	K	Joback Calculated Property
Tfus	308.56	K	Joback Calculated Property
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[341.96; 478.94]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53983e+01
Coefficient B			-4.15588e+03
Coefficient C			-6.69310e+01
Temperature range, min.			341.96
Temperature range, max.			478.94
Pvap	1.33	kPa	341.96	Calculated Property
Pvap	2.94	kPa	357.18	Calculated Property
Pvap	6.01	kPa	372.40	Calculated Property
Pvap	11.46	kPa	387.62	Calculated Property
Pvap	20.62	kPa	402.84	Calculated Property
Pvap	35.25	kPa	418.06	Calculated Property
Pvap	57.64	kPa	433.28	Calculated Property
Pvap	90.63	kPa	448.50	Calculated Property
Pvap	137.62	kPa	463.72	Calculated Property
Pvap	202.64	kPa	478.94	Calculated Property

Similar Compounds

Find more compounds similar to 3-Decyne.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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.