Chemical Properties of (Z)-2-Heptene (CAS 6443-92-1)

InChI

InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-

InChI Key

OTTZHAVKAVGASB-HYXAFXHYSA-N

Formula

C7H14

SMILES

CC=CCCCC

Molecular Weight¹

98.19

CAS

6443-92-1

Other Names

• (Z)-2-C7H14
• (Z)-hept-2-ene
• 2-heptene, (Z)-
• cis-2-heptene

• 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).
• 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_p : 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	0.2871		Relay (1.0) Calculated Property
ΔcH°liquid	-4650.22 ± 0.79	kJ/mol	NIST
ΔfG°	88.28	kJ/mol	Joback Calculated Property
ΔfH°gas	[-70.70; -68.80]	kJ/mol
ΔfH°gas	-70.70	kJ/mol	NIST
ΔfH°gas	-69.60 ± 0.70	kJ/mol	NIST
ΔfH°gas	-69.90	kJ/mol	NIST
ΔfH°gas	-68.80 ± 1.00	kJ/mol	NIST
ΔfH°liquid	[-105.90; -105.10]	kJ/mol
ΔfH°liquid	-105.90 ± 0.63	kJ/mol	NIST
ΔfH°liquid	-105.10 ± 0.92	kJ/mol	NIST
ΔfusH°	14.09	kJ/mol	Joback Calculated Property
ΔvapH°	[36.00; 38.60]	kJ/mol
ΔvapH°	38.60	kJ/mol	NIST
ΔvapH°	36.00	kJ/mol	NIST
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) 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	[700.00; 715.00]
Inp	712.80		NIST
Inp	702.10		NIST
Inp	705.00		NIST
Inp	712.00		NIST
Inp	713.00		NIST
Inp	713.00		NIST
Inp	713.00		NIST
Inp	713.00		NIST
Inp	713.00		NIST
Inp	712.00		NIST
Inp	712.00		NIST
Inp	705.90		NIST
Inp	704.00		NIST
Inp	700.40		NIST
Inp	704.40		NIST
Inp	705.00		NIST
Inp	705.00		NIST
Inp	704.00		NIST
Inp	713.20		NIST
Inp	703.50		NIST
Inp	704.00		NIST
Inp	705.10		NIST
Inp	704.30		NIST
Inp	700.00		NIST
Inp	703.00		NIST
Inp	704.00		NIST
Inp	704.00		NIST
Inp	704.00		NIST
Inp	708.80		NIST
Inp	714.40		NIST
Inp	710.92		NIST
Inp	710.93		NIST
Inp	711.00		NIST
Inp	713.20		NIST
Inp	712.20		NIST
Inp	712.10		NIST
Inp	712.00		NIST
Inp	702.40		NIST
Inp	714.00		NIST
Inp	710.00		NIST
Inp	713.00		NIST
Inp	712.00		NIST
Inp	709.00		NIST
Inp	710.00		NIST
Inp	711.00		NIST
Inp	705.00		NIST
Inp	713.00		NIST
Inp	709.00		NIST
Inp	715.00		NIST
Inp	700.00		NIST
Inp	714.40		NIST
Inp	712.20		NIST
Inp	702.40		NIST
Inp	705.00		NIST
Inp	708.80		NIST
Ip	[760.00; 790.00]
Ip	786.00		NIST
Ip	790.00		NIST
Ip	779.00		NIST
Ip	781.00		NIST
Ip	784.00		NIST
Ip	778.90		NIST
Ip	778.70		NIST
Ip	783.80		NIST
Ip	778.70		NIST
Ip	778.90		NIST
Ip	783.80		NIST
Ip	784.00		NIST
Ip	Outlier 760.00		NIST
Ip	Outlier 760.00		NIST
Tboil	[369.15; 372.25]	K
Tboil	371.70	K	NIST
Tboil	371.80 ± 0.20	K	NIST
Tboil	371.56 ± 0.30	K	NIST
Tboil	371.40 ± 1.00	K	NIST
Tboil	Outlier 369.15 ± 2.00	K	NIST
Tboil	371.40 ± 0.70	K	NIST
Tboil	370.75 ± 1.00	K	NIST
Tboil	372.15 ± 1.00	K	NIST
Tboil	372.25 ± 1.00	K	NIST
Tboil	372.25 ± 2.00	K	NIST
Tboil	371.40 ± 0.50	K	NIST
Tboil	371.65 ± 2.00	K	NIST
Tc	548.50	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tfus	163.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.405	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[34.60; 39.00]	kJ/mol	[290.00; 351.50]
ΔvapH	39.00 ± 0.30	kJ/mol	290.00	NIST
ΔvapH	35.30	kJ/mol	343.50	NIST
ΔvapH	34.60	kJ/mol	351.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.98; 349.88]	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			-1.76570e+01
Coefficient B			6.88840e-01
Coefficient C			-4.40800e-04
Coefficient D			1.19500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.98	J/mol×K	273.00	Calculated Property
Cp,gas	176.16	J/mol×K	353.78	Calculated Property
Cp,gas	208.25	J/mol×K	434.56	Calculated Property
Cp,gas	236.62	J/mol×K	515.33	Calculated Property
Cp,gas	261.64	J/mol×K	596.11	Calculated Property
Cp,gas	283.71	J/mol×K	676.89	Calculated Property
Cp,gas	303.18	J/mol×K	757.67	Calculated Property
Cp,gas	320.45	J/mol×K	838.44	Calculated Property
Cp,gas	335.89	J/mol×K	919.22	Calculated Property
Cp,gas	349.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046844; 0.0001715]	Pa×s	[163.90; 383.95]	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			-1.11341e+01
Coefficient B			9.45800e+02
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.			163.90
Temperature range, max.			383.95
η	0.0046844	Pa×s	163.90	Calculated Property
η	0.0022148	Pa×s	188.35	Calculated Property
η	0.0012438	Pa×s	212.80	Calculated Property
η	0.0007868	Pa×s	237.25	Calculated Property
η	0.0005421	Pa×s	261.70	Calculated Property
η	0.0003981	Pa×s	286.15	Calculated Property
η	0.0003069	Pa×s	310.60	Calculated Property
η	0.0002457	Pa×s	335.05	Calculated Property
η	0.0002028	Pa×s	359.50	Calculated Property
η	0.0001715	Pa×s	383.95	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[267.61; 397.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42449e+01
Coefficient B			-3.22507e+03
Coefficient C			-3.65420e+01
Temperature range, min.			267.61
Temperature range, max.			397.55
Pvap	1.33	kPa	267.61	Calculated Property
Pvap	3.03	kPa	282.05	Calculated Property
Pvap	6.28	kPa	296.49	Calculated Property
Pvap	12.07	kPa	310.92	Calculated Property
Pvap	21.73	kPa	325.36	Calculated Property
Pvap	36.97	kPa	339.80	Calculated Property
Pvap	59.94	kPa	354.24	Calculated Property
Pvap	93.20	kPa	368.67	Calculated Property
Pvap	139.66	kPa	383.11	Calculated Property
Pvap	202.63	kPa	397.55	Calculated Property
Pvap	[1.55e-05; 2779.73]	kPa	[164.00; 549.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			5.88865e+01
Coefficient B			-6.04816e+03
Coefficient C			-6.50618e+00
Coefficient D			3.65600e-06
Coefficient E			0.00000e+00
Temperature range, min.			164.00
Temperature range, max.			549.00
Pvap	1.55e-05	kPa	164.00	Calculated Property
Pvap	7.48e-03	kPa	206.78	Calculated Property
Pvap	0.36	kPa	249.56	Calculated Property
Pvap	4.80	kPa	292.33	Calculated Property
Pvap	30.54	kPa	335.11	Calculated Property
Pvap	120.53	kPa	377.89	Calculated Property
Pvap	346.06	kPa	420.67	Calculated Property
Pvap	797.82	kPa	463.44	Calculated Property
Pvap	1574.86	kPa	506.22	Calculated Property
Pvap	2779.73	kPa	549.00	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-2-Heptene.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• 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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