Chemical Properties of 1,4-Heptadiene, 3-methyl- (CAS 1603-01-6)

InChI

InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h5-8H,2,4H2,1,3H3/b7-6+

InChI Key

FBJNXQPYIFUANI-VOTSOKGWSA-N

Formula

C8H14

SMILES

C=CC(C)C=CCC

Molecular Weight¹

110.20

CAS

1603-01-6

Other Names

• 3-Methyl-1,4-heptadiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.88	kJ/mol	Joback Calculated Property
ΔvapH°	36.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Inp	[715.00; 715.00]
Inp	715.00		NIST
Inp	715.00		NIST
Tboil	[378.10; 378.40]	K
Tboil	378.10 ± 0.40	K	NIST
Tboil	378.40 ± 0.60	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

Similar Compounds

Find more compounds similar to 1,4-Heptadiene, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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