Chemical Properties of 2,3-Dimethyl-2-octene (CAS 19781-18-1)

InChI

InChI=1S/C10H20/c1-5-6-7-8-10(4)9(2)3/h5-8H2,1-4H3

InChI Key

ZFMOZNIUEPVNCV-UHFFFAOYSA-N

Formula

C10H20

SMILES

CCCCCC(C)=C(C)C

Molecular Weight¹

140.27

CAS

19781-18-1

Other Names

• n-C5H11C(CH3)=C(CH3)2
• 2-Octene, 2,3-dimethyl

• 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).
• I_np : Non-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
ω	0.3702		Relay (1.0) Calculated Property
ΔfG°	96.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.24	kJ/mol	Joback Calculated Property
ΔvapH°	49.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.13 ± 0.01	eV	NIST
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	3.923		Crippen Calculated Property
McVol	147.460	ml/mol	McGowan Calculated Property
Pc	2233.41	kPa	Joback Calculated Property
Inp	[959.00; 962.00]
Inp	959.00		NIST
Inp	960.00		NIST
Inp	962.00		NIST
Inp	961.00		NIST
Tboil	[441.90; 442.30]	K
Tboil	442.30 ± 1.50	K	NIST
Tboil	441.90 ± 2.00	K	NIST
Tboil	441.90 ± 1.50	K	NIST
Tc	616.94	K	Relay (1.0) Calculated Property
Tfus	[187.00; 187.20]	K
Tfus	187.00 ± 2.00	K	NIST
Tfus	187.20 ± 2.00	K	NIST
Vc	0.560	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.92; 504.11]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.97660e+01
Coefficient B			9.73680e-01
Coefficient C			-6.08600e-04
Coefficient D			1.58800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.92	J/mol×K	273.00	Calculated Property
Cp,gas	255.56	J/mol×K	353.78	Calculated Property
Cp,gas	301.46	J/mol×K	434.56	Calculated Property
Cp,gas	342.11	J/mol×K	515.33	Calculated Property
Cp,gas	378.03	J/mol×K	596.11	Calculated Property
Cp,gas	409.71	J/mol×K	676.89	Calculated Property
Cp,gas	437.66	J/mol×K	757.67	Calculated Property
Cp,gas	462.37	J/mol×K	838.44	Calculated Property
Cp,gas	484.36	J/mol×K	919.22	Calculated Property
Cp,gas	504.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dimethyl-2-octene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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