Chemical Properties of 1,6-Heptadiene, 2,5,5-trimethyl- (CAS 62238-28-2)

InChI

InChI=1S/C10H18/c1-6-10(4,5)8-7-9(2)3/h6H,1-2,7-8H2,3-5H3

InChI Key

IFNFARVJUNNPDT-UHFFFAOYSA-N

Formula

C10H18

SMILES

C=CC(C)(C)CCC(=C)C

Molecular Weight¹

138.25

CAS

62238-28-2

Other Names

• 2,5,5-Trimethyl-1,6-heptadiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.37	kJ/mol	Joback Calculated Property
ΔvapH°	44.10	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.555		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Inp	[1211.00; 1211.00]
Inp	1211.00		NIST
Inp	1211.00		NIST
Tboil	424.08	K	Relay (1.0) Calculated Property
Tfus	188.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[284.78; 368.22]	J/mol×K	[418.21; 601.43]
Cp,gas	284.78	J/mol×K	418.21	Joback Calculated Property
Cp,gas	300.66	J/mol×K	448.75	Joback Calculated Property
Cp,gas	315.70	J/mol×K	479.28	Joback Calculated Property
Cp,gas	329.94	J/mol×K	509.82	Joback Calculated Property
Cp,gas	343.42	J/mol×K	540.36	Joback Calculated Property
Cp,gas	356.16	J/mol×K	570.90	Joback Calculated Property
Cp,gas	368.22	J/mol×K	601.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6-Heptadiene, 2,5,5-trimethyl-.

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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