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_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).
• 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).
• 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°	182.10	kJ/mol	Joback Calculated Property
ΔfH°gas	28.92	kJ/mol	Joback Calculated Property
ΔfusH°	11.88	kJ/mol	Joback Calculated Property
ΔvapH°	32.30	kJ/mol	Joback Calculated Property
log10WS	-2.64		Crippen Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	2817.33	kPa	Joback 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
Tc	562.47	K	Joback Calculated Property
Tfus	158.08	K	Joback Calculated Property
Vc	0.439	m3/kmol	Joback 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

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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