Chemical Properties of 3-Hexene, 3-methyl-, (Z)- (CAS 4914-89-0)

InChI

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

InChI Key

FHHSSXNRVNXTBG-SREVYHEPSA-N

Formula

C7H14

SMILES

CCC=C(C)CC

Molecular Weight¹

98.19

CAS

4914-89-0

Other Names

• (Z)-3-Hexene, 3-methyl
• (Z)-3-METHYL-3-HEXENE
• 3-METHYL-CIS-3-HEXENE
• 3-Methyl-3-hexene (cis)
• CIS-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.
• 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	-4639.39 ± 0.92	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°	[36.40; 36.40]	kJ/mol
ΔvapH°	36.40	kJ/mol	NIST
ΔvapH°	36.40	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; 705.00]
Inp	694.60		NIST
Inp	684.00		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	691.00		NIST
Inp	691.30		NIST
Inp	684.80		NIST
Inp	685.10		NIST
Inp	695.00		NIST
Inp	695.00		NIST
Inp	684.00		NIST
Inp	685.00		NIST
Inp	684.50		NIST
Inp	685.00		NIST
Inp	685.00		NIST
Inp	686.90		NIST
Inp	692.00		NIST
Inp	691.60		NIST
Inp	691.60		NIST
Inp	685.00		NIST
Inp	685.00		NIST
Inp	688.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	695.00		NIST
Inp	695.00		NIST
Inp	694.80		NIST
Inp	Outlier 705.00		NIST
Inp	695.10		NIST
Inp	684.30		NIST
Inp	685.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	693.00		NIST
Inp	694.00		NIST
Inp	692.00		NIST
Inp	695.00		NIST
Inp	685.00		NIST
Inp	695.10		NIST
Inp	693.00		NIST
Inp	694.60		NIST
Inp	691.00		NIST
Inp	695.00		NIST
Inp	685.00		NIST
Inp	692.00		NIST
Inp	684.30		NIST
Inp	694.80		NIST
Tboil	[364.15; 368.60]	K
Tboil	368.60	K	NIST
Tboil	368.49 ± 0.30	K	NIST
Tboil	368.47 ± 0.30	K	NIST
Tboil	368.50 ± 0.30	K	NIST
Tboil	367.65 ± 3.00	K	NIST
Tboil	Outlier 364.15 ± 3.00	K	NIST
Tc	539.41	K	Joback Calculated Property
Tfus	149.61	K	Joback Calculated Property
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	[35.40; 35.70]	kJ/mol	[335.00; 341.00]
ΔvapH	35.70	kJ/mol	335.00	NIST
ΔvapH	35.40	kJ/mol	341.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[269.30; 393.70]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39284e+01
Coefficient B			-2.91062e+03
Coefficient C			-5.59190e+01
Temperature range, min.			269.30
Temperature range, max.			393.70
Pvap	1.33	kPa	269.30	Calculated Property
Pvap	3.06	kPa	283.12	Calculated Property
Pvap	6.38	kPa	296.94	Calculated Property
Pvap	12.27	kPa	310.77	Calculated Property
Pvap	22.09	kPa	324.59	Calculated Property
Pvap	37.53	kPa	338.41	Calculated Property
Pvap	60.68	kPa	352.23	Calculated Property
Pvap	94.01	kPa	366.06	Calculated Property
Pvap	140.31	kPa	379.88	Calculated Property
Pvap	202.65	kPa	393.70	Calculated Property
Pvap	[8.27; 100.15]	kPa	[302.15; 368.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.48123e+01
Coefficient B			-7.46166e+03
Coefficient C			-1.20711e+01
Coefficient D			1.02147e-05
Temperature range, min.			302.15
Temperature range, max.			368.15
Pvap	8.27	kPa	302.15	Calculated Property
Pvap	11.63	kPa	309.48	Calculated Property
Pvap	16.06	kPa	316.82	Calculated Property
Pvap	21.78	kPa	324.15	Calculated Property
Pvap	29.05	kPa	331.48	Calculated Property
Pvap	38.18	kPa	338.82	Calculated Property
Pvap	49.49	kPa	346.15	Calculated Property
Pvap	63.33	kPa	353.48	Calculated Property
Pvap	80.08	kPa	360.82	Calculated Property
Pvap	100.15	kPa	368.15	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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