Chemical Properties of 2-Heptene (CAS 592-77-8)

InChI

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

InChI Key

OTTZHAVKAVGASB-UHFFFAOYSA-N

Formula

C7H14

SMILES

CC=CCCCC

Molecular Weight¹

98.19

CAS

592-77-8

Other Names

• 2-C7H14
• Hept-2-ene
• Heptene-2

• ω : Acentric Factor.
• 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_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	0.2871		Relay (1.0) Calculated Property
ΔfG°	88.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-95.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.09	kJ/mol	Joback Calculated Property
ΔvapH°	36.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.84 ± 0.02	eV	NIST
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	[701.00; 729.00]
Inp	701.00		NIST
Inp	703.00		NIST
Inp	703.00		NIST
Inp	705.00		NIST
Inp	710.00		NIST
Inp	729.00		NIST
Inp	704.00		NIST
Inp	705.00		NIST
Inp	729.00		NIST
Tboil	371.40 ± 0.80	K	NIST
Tc	539.77	K	Relay (1.0) Calculated Property
Tfus	159.03	K	Relay (1.0) Calculated Property
Vc	0.405	m3/kmol	Relay (1.0) Calculated Property

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	[0.0047393; 0.0001814]	Pa×s	[163.57; 375.41]	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.			163.57
Temperature range, max.			375.41
η	0.0047393	Pa×s	163.57	Calculated Property
η	0.0022898	Pa×s	187.11	Calculated Property
η	0.0013017	Pa×s	210.65	Calculated Property
η	0.0008289	Pa×s	234.18	Calculated Property
η	0.0005732	Pa×s	257.72	Calculated Property
η	0.0004216	Pa×s	281.26	Calculated Property
η	0.0003252	Pa×s	304.80	Calculated Property
η	0.0002603	Pa×s	328.34	Calculated Property
η	0.0002147	Pa×s	351.87	Calculated Property
η	0.0001814	Pa×s	375.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[274.62; 394.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49203e+01
Coefficient B			-3.36875e+03
Coefficient C			-4.43990e+01
Temperature range, min.			274.62
Temperature range, max.			394.99
Pvap	1.33	kPa	274.62	Calculated Property
Pvap	2.98	kPa	287.99	Calculated Property
Pvap	6.12	kPa	301.37	Calculated Property
Pvap	11.70	kPa	314.74	Calculated Property
Pvap	21.05	kPa	328.12	Calculated Property
Pvap	35.92	kPa	341.49	Calculated Property
Pvap	58.54	kPa	354.87	Calculated Property
Pvap	91.64	kPa	368.24	Calculated Property
Pvap	138.44	kPa	381.62	Calculated Property
Pvap	202.66	kPa	394.99	Calculated Property
Pvap	[0.13; 101.36]	kPa	[237.40; 371.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43306e+01
Coefficient B			-3.21364e+03
Coefficient C			-4.08050e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			237.40
Temperature range, max.			371.70
Pvap	0.13	kPa	237.40	Calculated Property
Pvap	0.42	kPa	252.32	Calculated Property
Pvap	1.15	kPa	267.24	Calculated Property
Pvap	2.76	kPa	282.17	Calculated Property
Pvap	6.00	kPa	297.09	Calculated Property
Pvap	11.96	kPa	312.01	Calculated Property
Pvap	22.18	kPa	326.93	Calculated Property
Pvap	38.70	kPa	341.86	Calculated Property
Pvap	64.07	kPa	356.78	Calculated Property
Pvap	101.36	kPa	371.70	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptene.

Sources

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

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