Chemical Properties of 1-Hexene, 3,4-dimethyl- (CAS 16745-94-1)

InChI

InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5,7-8H,1,6H2,2-4H3

InChI Key

OWWRMMIWAOBBFK-UHFFFAOYSA-N

Formula

C8H16

SMILES

C=CC(C)C(C)CC

Molecular Weight¹

112.22

CAS

16745-94-1

Other Names

• 3,4-Dimethyl-1-hexene
• 3,4-Dimethylhex-1-ene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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	0.2758		Relay (1.0) Calculated Property
ΔfG°	99.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-102.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.15	kJ/mol	Joback Calculated Property
ΔvapH°	38.90	kJ/mol	NIST
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-4.12		Relay (1.0) Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2690.21	kPa	Joback Calculated Property
Inp	[737.90; 756.00]
Inp	744.30		NIST
Inp	745.40		NIST
Inp	737.90		NIST
Inp	739.20		NIST
Inp	745.00		NIST
Inp	745.00		NIST
Inp	746.00		NIST
Inp	746.00		NIST
Inp	741.00		NIST
Inp	742.00		NIST
Inp	755.50		NIST
Inp	756.00		NIST
Inp	756.00		NIST
Inp	741.00		NIST
Inp	742.00		NIST
Inp	746.00		NIST
Inp	756.00		NIST
Tboil	381.62	K	Relay (1.0) Calculated Property
Tc	550.89	K	Relay (1.0) Calculated Property
Tfus	163.11	K	Relay (1.0) Calculated Property
Vc	0.422	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.75; 404.62]	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			-1.07390e+01
Coefficient B			7.55660e-01
Coefficient C			-4.40700e-04
Coefficient D			1.00400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.75	J/mol×K	273.00	Calculated Property
Cp,gas	205.88	J/mol×K	353.78	Calculated Property
Cp,gas	242.66	J/mol×K	434.56	Calculated Property
Cp,gas	275.38	J/mol×K	515.33	Calculated Property
Cp,gas	304.38	J/mol×K	596.11	Calculated Property
Cp,gas	329.98	J/mol×K	676.89	Calculated Property
Cp,gas	352.48	J/mol×K	757.67	Calculated Property
Cp,gas	372.21	J/mol×K	838.44	Calculated Property
Cp,gas	389.48	J/mol×K	919.22	Calculated Property
Cp,gas	404.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0184203; 0.0002095]	Pa×s	[148.16; 387.24]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12446e+01
Coefficient B			1.07420e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			148.16
Temperature range, max.			387.24
η	0.0184203	Pa×s	148.16	Calculated Property
η	0.0061175	Pa×s	174.72	Calculated Property
η	0.0027177	Pa×s	201.29	Calculated Property
η	0.0014588	Pa×s	227.85	Calculated Property
η	0.0008917	Pa×s	254.42	Calculated Property
η	0.0005982	Pa×s	280.98	Calculated Property
η	0.0004300	Pa×s	307.55	Calculated Property
η	0.0003257	Pa×s	334.11	Calculated Property
η	0.0002570	Pa×s	360.68	Calculated Property
η	0.0002095	Pa×s	387.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[281.04; 422.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.32727e+01
Coefficient B			-2.91446e+03
Coefficient C			-5.65930e+01
Temperature range, min.			281.04
Temperature range, max.			422.67
Pvap	1.33	kPa	281.04	Calculated Property
Pvap	3.12	kPa	296.78	Calculated Property
Pvap	6.58	kPa	312.51	Calculated Property
Pvap	12.73	kPa	328.25	Calculated Property
Pvap	22.91	kPa	343.99	Calculated Property
Pvap	38.79	kPa	359.72	Calculated Property
Pvap	62.34	kPa	375.46	Calculated Property
Pvap	95.83	kPa	391.20	Calculated Property
Pvap	141.71	kPa	406.93	Calculated Property
Pvap	202.63	kPa	422.67	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexene, 3,4-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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