Chemical Properties of 3-Heptene, (E)- (CAS 14686-14-7)

InChI

InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+

InChI Key

WZHKDGJSXCTSCK-FNORWQNLSA-N

Formula

C7H14

SMILES

CCC=CCCC

Molecular Weight¹

98.19

CAS

14686-14-7

Other Names

• (E)-3-HEPTENE
• (E)-hept-3-ene
• 3-C7H14
• TRANS-3-HEPTENE

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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	-4646.04 ± 0.92	kJ/mol	NIST
ΔfG°	88.28	kJ/mol	Joback Calculated Property
ΔfH°gas	[-74.10; -72.60]	kJ/mol
ΔfH°gas	-73.20	kJ/mol	NIST
ΔfH°gas	-72.60 ± 0.70	kJ/mol	NIST
ΔfH°gas	-74.10	kJ/mol	NIST
ΔfH°gas	-73.50 ± 1.00	kJ/mol	NIST
ΔfH°liquid	[-109.30; -108.40]	kJ/mol
ΔfH°liquid	-108.40 ± 0.63	kJ/mol	NIST
ΔfH°liquid	-109.30 ± 1.00	kJ/mol	NIST
ΔfusH°	14.09	kJ/mol	Joback Calculated Property
ΔvapH°	35.60	kJ/mol	NIST
IE	8.92	eV	NIST
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2960.12	kPa	Joback Calculated Property
Inp	[687.00; 698.40]
Inp	698.40		NIST
Inp	687.40		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	694.00		NIST
Inp	694.00		NIST
Inp	694.00		NIST
Inp	694.00		NIST
Inp	694.20		NIST
Inp	687.50		NIST
Inp	687.50		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	687.60		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	692.00		NIST
Inp	692.10		NIST
Inp	694.00		NIST
Inp	694.00		NIST
Inp	688.00		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	688.00		NIST
Inp	691.30		NIST
Inp	687.50		NIST
Inp	688.00		NIST
Inp	687.40		NIST
Inp	687.50		NIST
Inp	690.00		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	698.40		NIST
Inp	697.90		NIST
Inp	697.00		NIST
Inp	697.50		NIST
Inp	697.72		NIST
Inp	698.00		NIST
Inp	687.40		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	696.00		NIST
Inp	698.00		NIST
Inp	687.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	687.40		NIST
Inp	698.40		NIST
Inp	697.90		NIST
Inp	694.00		NIST
Inp	687.50		NIST
Inp	688.00		NIST
Inp	691.30		NIST
Inp	690.00		NIST
Inp	698.00		NIST
Inp	687.00		NIST
I	[714.00; 752.00]
I	752.00		NIST
I	750.00		NIST
I	746.00		NIST
I	748.00		NIST
I	749.00		NIST
I	747.70		NIST
I	746.40		NIST
I	749.00		NIST
I	746.40		NIST
I	747.70		NIST
I	749.00		NIST
I	735.00		NIST
I	Outlier 714.00		NIST
I	752.00		NIST
I	747.70		NIST
I	749.00		NIST
I	Outlier 714.00		NIST
I	735.00		NIST
Tboil	[367.15; 370.65]	K
Tboil	Outlier 367.20	K	NIST
Tboil	368.90	K	NIST
Tboil	369.00 ± 2.00	K	NIST
Tboil	368.90 ± 1.00	K	NIST
Tboil	368.90 ± 1.00	K	NIST
Tboil	368.00 ± 2.00	K	NIST
Tboil	368.81 ± 0.20	K	NIST
Tboil	368.83 ± 0.20	K	NIST
Tboil	368.84 ± 0.30	K	NIST
Tboil	368.70 ± 1.00	K	NIST
Tboil	368.83 ± 0.30	K	NIST
Tboil	369.65 ± 2.00	K	NIST
Tboil	368.95 ± 1.00	K	NIST
Tboil	368.65 ± 2.00	K	NIST
Tboil	369.20 ± 1.00	K	NIST
Tboil	369.20 ± 1.00	K	NIST
Tboil	369.25 ± 1.00	K	NIST
Tboil	Outlier 367.15 ± 2.00	K	NIST
Tboil	369.15 ± 1.00	K	NIST
Tboil	Outlier 370.65 ± 2.00	K	NIST
Tc	538.60	K	Gas-Liq...
Tfus	[136.49; 136.52]	K
Tfus	136.49 ± 0.06	K	NIST
Tfus	136.49 ± 0.06	K	NIST
Tfus	136.52 ± 0.04	K	NIST
Tfus	136.49 ± 0.06	K	NIST
Tfus	136.52 ± 0.04	K	NIST
Vc	0.407	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.32; 243.33]	J/mol×K	[363.72; 536.01]
Cp,gas	180.32	J/mol×K	363.72	Joback Calculated Property
Cp,gas	192.00	J/mol×K	392.43	Joback Calculated Property
Cp,gas	203.19	J/mol×K	421.15	Joback Calculated Property
Cp,gas	213.90	J/mol×K	449.86	Joback Calculated Property
Cp,gas	224.15	J/mol×K	478.58	Joback Calculated Property
Cp,gas	233.95	J/mol×K	507.29	Joback Calculated Property
Cp,gas	243.33	J/mol×K	536.01	Joback Calculated Property
η	[0.0001967; 0.0047393]	Pa×s	[163.57; 363.72]
η	0.0047393	Pa×s	163.57	Joback Calculated Property
η	0.0017796	Pa×s	196.93	Joback Calculated Property
η	0.0008875	Pa×s	230.29	Joback Calculated Property
η	0.0005278	Pa×s	263.64	Joback Calculated Property
η	0.0003528	Pa×s	297.00	Joback Calculated Property
η	0.0002558	Pa×s	330.36	Joback Calculated Property
η	0.0001967	Pa×s	363.72	Joback Calculated Property
ΔvapH	34.60	kJ/mol	340.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[266.46; 394.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45052e+01
Coefficient B			-3.32231e+03
Coefficient C			-3.27880e+01
Temperature range, min.			266.46
Temperature range, max.			394.15
Pvap	1.33	kPa	266.46	Calculated Property
Pvap	3.01	kPa	280.65	Calculated Property
Pvap	6.21	kPa	294.84	Calculated Property
Pvap	11.92	kPa	309.02	Calculated Property
Pvap	21.45	kPa	323.21	Calculated Property
Pvap	36.54	kPa	337.40	Calculated Property
Pvap	59.37	kPa	351.59	Calculated Property
Pvap	92.56	kPa	365.77	Calculated Property
Pvap	139.16	kPa	379.96	Calculated Property
Pvap	202.62	kPa	394.15	Calculated Property
Pvap	[1.37; 202.87]	kPa	[268.15; 394.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.95241e+01
Coefficient B			-7.41197e+03
Coefficient C			-1.29776e+01
Coefficient D			1.38838e-05
Temperature range, min.			268.15
Temperature range, max.			394.15
Pvap	1.37	kPa	268.15	Calculated Property
Pvap	3.11	kPa	282.15	Calculated Property
Pvap	6.43	kPa	296.15	Calculated Property
Pvap	12.29	kPa	310.15	Calculated Property
Pvap	22.00	kPa	324.15	Calculated Property
Pvap	37.25	kPa	338.15	Calculated Property
Pvap	60.15	kPa	352.15	Calculated Property
Pvap	93.25	kPa	366.15	Calculated Property
Pvap	139.61	kPa	380.15	Calculated Property
Pvap	202.87	kPa	394.15	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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