Chemical Properties of 2,4-Heptadiene (CAS 628-72-8)

InChI

InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3

InChI Key

XTJLXXCARCJVPJ-UHFFFAOYSA-N

Formula

C7H12

SMILES

CC=CC=CCC

Molecular Weight¹

96.17

CAS

628-72-8

• 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
ΔfG°	168.50	kJ/mol	Joback Calculated Property
ΔfH°gas	46.63	kJ/mol	Joback Calculated Property
ΔfusH°	14.29	kJ/mol	Joback Calculated Property
ΔvapH°	31.09	kJ/mol	Joback Calculated Property
IE	8.17	eV	NIST
log10WS	-2.46		Crippen Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3135.00	kPa	Joback Calculated Property
Inp	750.00		NIST
Tboil	[377.00; 382.80]	K
Tboil	381.20	K	NIST
Tboil	382.60 ± 2.00	K	NIST
Tboil	382.80 ± 2.00	K	NIST
Tboil	377.00 ± 2.00	K	NIST
Tboil	378.00 ± 3.00	K	NIST
Tc	549.48	K	Joback Calculated Property
Tfus	158.49	K	Joback Calculated Property
Vc	0.388	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.24; 226.95]	J/mol×K	[367.88; 549.48]
Cp,gas	166.24	J/mol×K	367.88	Joback Calculated Property
Cp,gas	177.76	J/mol×K	398.15	Joback Calculated Property
Cp,gas	188.68	J/mol×K	428.41	Joback Calculated Property
Cp,gas	199.03	J/mol×K	458.68	Joback Calculated Property
Cp,gas	208.84	J/mol×K	488.95	Joback Calculated Property
Cp,gas	218.14	J/mol×K	519.21	Joback Calculated Property
Cp,gas	226.95	J/mol×K	549.48	Joback Calculated Property
η	[0.0001609; 0.0044130]	Pa×s	[158.49; 367.88]
η	0.0044130	Pa×s	158.49	Joback Calculated Property
η	0.0015445	Pa×s	193.39	Joback Calculated Property
η	0.0007452	Pa×s	228.29	Joback Calculated Property
η	0.0004362	Pa×s	263.19	Joback Calculated Property
η	0.0002894	Pa×s	298.08	Joback Calculated Property
η	0.0002093	Pa×s	332.98	Joback Calculated Property
η	0.0001609	Pa×s	367.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[286.42; 403.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55530e+01
Coefficient B			-3.65317e+03
Coefficient C			-4.71100e+01
Temperature range, min.			286.42
Temperature range, max.			403.81
Pvap	1.33	kPa	286.42	Calculated Property
Pvap	2.93	kPa	299.46	Calculated Property
Pvap	5.98	kPa	312.51	Calculated Property
Pvap	11.39	kPa	325.55	Calculated Property
Pvap	20.49	kPa	338.59	Calculated Property
Pvap	35.05	kPa	351.64	Calculated Property
Pvap	57.37	kPa	364.68	Calculated Property
Pvap	90.32	kPa	377.72	Calculated Property
Pvap	137.38	kPa	390.77	Calculated Property
Pvap	202.64	kPa	403.81	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Heptadiene.

Sources

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

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