Chemical Properties of 1,5-Heptadiene, 3-methyl- (CAS 4894-62-6)

InChI

InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h4-6,8H,2,7H2,1,3H3/b6-4+

InChI Key

QIWJMWAOAINRPL-GQCTYLIASA-N

Formula

C8H14

SMILES

C=CC(C)CC=CC

Molecular Weight¹

110.20

CAS

4894-62-6

Other Names

• 3-Methyl-1,5-heptadiene

• 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).
• 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	0.2537		Relay (1.0) Calculated Property
ΔfG°	182.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-23.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.88	kJ/mol	Joback Calculated Property
ΔvapH°	39.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	2817.33	kPa	Joback Calculated Property
Tboil	[383.70; 385.70]	K
Tboil	383.70 ± 1.00	K	NIST
Tboil	385.70 ± 2.00	K	NIST
Tboil	384.15 ± 0.50	K	NIST
Tc	534.40	K	Relay (1.0) Calculated Property
Tfus	162.30	K	Relay (1.0) Calculated Property
Vc	0.410	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.36; 271.18]	J/mol×K	[382.84; 562.47]
Cp,gas	203.36	J/mol×K	382.84	Joback Calculated Property
Cp,gas	216.10	J/mol×K	412.78	Joback Calculated Property
Cp,gas	228.23	J/mol×K	442.72	Joback Calculated Property
Cp,gas	239.78	J/mol×K	472.65	Joback Calculated Property
Cp,gas	250.77	J/mol×K	502.59	Joback Calculated Property
Cp,gas	261.23	J/mol×K	532.53	Joback Calculated Property
Cp,gas	271.18	J/mol×K	562.47	Joback Calculated Property
η	[0.0001898; 0.0081563]	Pa×s	[158.08; 382.84]
η	0.0081563	Pa×s	158.08	Joback Calculated Property
η	0.0023908	Pa×s	195.54	Joback Calculated Property
η	0.0010398	Pa×s	233.00	Joback Calculated Property
η	0.0005696	Pa×s	270.46	Joback Calculated Property
η	0.0003612	Pa×s	307.92	Joback Calculated Property
η	0.0002528	Pa×s	345.38	Joback Calculated Property
η	0.0001898	Pa×s	382.84	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[288.82; 406.29]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56130e+01
Coefficient B			-3.69152e+03
Coefficient C			-4.79440e+01
Temperature range, min.			288.82
Temperature range, max.			406.29
Pvap	1.33	kPa	288.82	Calculated Property
Pvap	2.93	kPa	301.87	Calculated Property
Pvap	5.97	kPa	314.92	Calculated Property
Pvap	11.36	kPa	327.98	Calculated Property
Pvap	20.44	kPa	341.03	Calculated Property
Pvap	34.97	kPa	354.08	Calculated Property
Pvap	57.26	kPa	367.13	Calculated Property
Pvap	90.20	kPa	380.19	Calculated Property
Pvap	137.28	kPa	393.24	Calculated Property
Pvap	202.64	kPa	406.29	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Heptadiene, 3-methyl-.

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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