Chemical Properties of 3-Hexene, 3-methyl-, (E)- (CAS 3899-36-3)

InChI

InChI=1S/C7H14/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3/b7-6+

InChI Key

FHHSSXNRVNXTBG-VOTSOKGWSA-N

Formula

C7H14

SMILES

CCC=C(C)CC

Molecular Weight¹

98.19

CAS

3899-36-3

Other Names

• (E)-3-Hexene, 3-methyl
• (E)-3-METHYL-3-HEXENE
• 3-METHYL-TRANS-3-HEXENE
• 3-Methyl-3-hexene, trans
• TRANS-3-METHYL-3-HEXENE

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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
ΔcH°liquid	-4642.65 ± 0.88	kJ/mol	NIST
ΔfG°	79.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-80.38	kJ/mol	Joback Calculated Property
ΔfusH°	12.78	kJ/mol	Joback Calculated Property
ΔvapH°	[35.80; 35.80]	kJ/mol
ΔvapH°	35.80	kJ/mol	NIST
ΔvapH°	35.80	kJ/mol	NIST
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[684.00; 703.40]
Inp	703.40		NIST
Inp	691.20		NIST
Inp	703.00		NIST
Inp	703.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	689.00		NIST
Inp	685.00		NIST
Inp	685.00		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	685.00		NIST
Inp	684.00		NIST
Inp	684.00		NIST
Inp	695.00		NIST
Inp	703.20		NIST
Inp	703.20		NIST
Inp	693.00		NIST
Inp	691.30		NIST
Inp	691.00		NIST
Inp	685.00		NIST
Inp	695.00		NIST
Inp	698.00		NIST
Inp	703.00		NIST
Inp	703.00		NIST
Inp	695.00		NIST
Inp	703.00		NIST
I	[731.00; 735.00]
I	735.00		NIST
I	731.00		NIST
Tboil	[366.67; 366.70]	K
Tboil	366.70	K	NIST
Tboil	366.67 ± 0.20	K	NIST
Tboil	366.70 ± 0.30	K	NIST
Tc	539.41	K	Joback Calculated Property
Tfus	131.59 ± 0.03	K	NIST
Vc	0.408	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.34; 244.29]	J/mol×K	[363.60; 539.41]
Cp,gas	180.34	J/mol×K	363.60	Joback Calculated Property
Cp,gas	192.22	J/mol×K	392.90	Joback Calculated Property
Cp,gas	203.59	J/mol×K	422.20	Joback Calculated Property
Cp,gas	214.47	J/mol×K	451.50	Joback Calculated Property
Cp,gas	224.86	J/mol×K	480.80	Joback Calculated Property
Cp,gas	234.79	J/mol×K	510.11	Joback Calculated Property
Cp,gas	244.29	J/mol×K	539.41	Joback Calculated Property
ΔvapH	[34.80; 35.30]	kJ/mol	[333.50; 339.00]
ΔvapH	35.30	kJ/mol	333.50	NIST
ΔvapH	34.80	kJ/mol	339.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[265.47; 392.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41951e+01
Coefficient B			-3.11299e+03
Coefficient C			-4.16350e+01
Temperature range, min.			265.47
Temperature range, max.			392.05
Pvap	1.33	kPa	265.47	Calculated Property
Pvap	3.03	kPa	279.53	Calculated Property
Pvap	6.30	kPa	293.60	Calculated Property
Pvap	12.10	kPa	307.66	Calculated Property
Pvap	21.78	kPa	321.73	Calculated Property
Pvap	37.05	kPa	335.79	Calculated Property
Pvap	60.05	kPa	349.86	Calculated Property
Pvap	93.32	kPa	363.92	Calculated Property
Pvap	139.76	kPa	377.99	Calculated Property
Pvap	202.63	kPa	392.05	Calculated Property
Pvap	[8.22; 99.71]	kPa	[300.15; 366.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.98033e+01
Coefficient B			-7.19630e+03
Coefficient C			-1.13231e+01
Coefficient D			9.64776e-06
Temperature range, min.			300.15
Temperature range, max.			366.15
Pvap	8.22	kPa	300.15	Calculated Property
Pvap	11.57	kPa	307.48	Calculated Property
Pvap	15.97	kPa	314.82	Calculated Property
Pvap	21.66	kPa	322.15	Calculated Property
Pvap	28.90	kPa	329.48	Calculated Property
Pvap	37.99	kPa	336.82	Calculated Property
Pvap	49.24	kPa	344.15	Calculated Property
Pvap	63.02	kPa	351.48	Calculated Property
Pvap	79.71	kPa	358.82	Calculated Property
Pvap	99.71	kPa	366.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexene, 3-methyl-, (E)-.

Sources

• KDB Vapor Pressure Data
• 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.