Chemical Properties of 3-Hexene, 2,5-dimethyl-, (E)- (CAS 692-70-6)

InChI

InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+

InChI Key

KNCMKWVOMRUHKZ-AATRIKPKSA-N

Formula

C8H16

SMILES

CC(C)/C=C/C(C)C

Molecular Weight¹

112.22

CAS

692-70-6

Other Names

• (3E)-2,5-Dimethyl-3-hexene
• (E)-(CH3)2CHCH=CHCH(CH3)2
• (E)-2,5-Dimethyl-3-hexene
• (E)-2,5-Dimethylhex-3-ene
• 2,5-Dimethyl-trans-3-hexene
• trans-2,5-Dimethyl-3-hexene
• trans-Diisopropylethylene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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	0.3101		Relay (1.0) Calculated Property
ΔcH°liquid	[-5275.50; -5265.56]	kJ/mol
ΔcH°liquid	-5275.50 ± 1.50	kJ/mol	NIST
ΔcH°liquid	-5265.56 ± 0.50	kJ/mol	NIST
ΔfG°	91.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-119.50	kJ/mol	NIST
ΔfH°liquid	-159.30 ± 1.50	kJ/mol	NIST
ΔfusH°	9.63	kJ/mol	Joback Calculated Property
ΔvapH°	37.50	kJ/mol	NIST
IE	8.84 ± 0.01	eV	NIST
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	2.855		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2718.33	kPa	Joback Calculated Property
Inp	[694.50; 713.60]
Inp	Outlier 713.60		NIST
Inp	695.50		NIST
Inp	704.00		NIST
Inp	703.00		NIST
Inp	703.00		NIST
Inp	703.70		NIST
Inp	703.20		NIST
Inp	695.00		NIST
Inp	694.50		NIST
Inp	695.00		NIST
Inp	695.00		NIST
Inp	695.00		NIST
Inp	696.00		NIST
Inp	713.00		NIST
Tboil	[375.19; 375.24]	K
Tboil	375.19 ± 0.20	K	NIST
Tboil	375.24 ± 0.30	K	NIST
Tc	535.19	K	Relay (1.0) Calculated Property
Tfus	[177.92; 177.95]	K
Tfus	177.92 ± 0.04	K	NIST
Tfus	177.93 ± 0.03	K	NIST
Tfus	177.95 ± 0.02	K	NIST
Vc	0.459	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.56; 402.55]	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			-2.19300e+01
Coefficient B			7.95680e-01
Coefficient C			-5.01600e-04
Coefficient D			1.30400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.56	J/mol×K	273.00	Calculated Property
Cp,gas	202.56	J/mol×K	353.78	Calculated Property
Cp,gas	239.82	J/mol×K	434.56	Calculated Property
Cp,gas	272.75	J/mol×K	515.33	Calculated Property
Cp,gas	301.76	J/mol×K	596.11	Calculated Property
Cp,gas	327.28	J/mol×K	676.89	Calculated Property
Cp,gas	349.70	J/mol×K	757.67	Calculated Property
Cp,gas	369.44	J/mol×K	838.44	Calculated Property
Cp,gas	386.92	J/mol×K	919.22	Calculated Property
Cp,gas	402.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055287; 0.0001747]	Pa×s	[177.93; 396.25]	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			-1.14676e+01
Coefficient B			1.11560e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			177.93
Temperature range, max.			396.25
η	0.0055287	Pa×s	177.93	Calculated Property
η	0.0026058	Pa×s	202.19	Calculated Property
η	0.0014430	Pa×s	226.45	Calculated Property
η	0.0008958	Pa×s	250.71	Calculated Property
η	0.0006050	Pa×s	274.96	Calculated Property
η	0.0004354	Pa×s	299.22	Calculated Property
η	0.0003292	Pa×s	323.48	Calculated Property
η	0.0002588	Pa×s	347.74	Calculated Property
η	0.0002100	Pa×s	371.99	Calculated Property
η	0.0001747	Pa×s	396.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[274.63; 400.82]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37940e+01
Coefficient B			-2.87756e+03
Coefficient C			-6.15820e+01
Temperature range, min.			274.63
Temperature range, max.			400.82
Pvap	1.33	kPa	274.63	Calculated Property
Pvap	3.07	kPa	288.65	Calculated Property
Pvap	6.41	kPa	302.67	Calculated Property
Pvap	12.36	kPa	316.69	Calculated Property
Pvap	22.24	kPa	330.71	Calculated Property
Pvap	37.77	kPa	344.74	Calculated Property
Pvap	61.00	kPa	358.76	Calculated Property
Pvap	94.37	kPa	372.78	Calculated Property
Pvap	140.59	kPa	386.80	Calculated Property
Pvap	202.67	kPa	400.82	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexene, 2,5-dimethyl-, (E)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.