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_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°	203.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-17.41	kJ/mol	Joback Calculated Property
ΔfusH°	10.37	kJ/mol	Joback Calculated Property
ΔvapH°	35.30	kJ/mol	Joback Calculated Property
log10WS	-3.47		Crippen Calculated Property
logPoct/wat	3.555		Crippen Calculated Property
McVol	143.160	ml/mol	McGowan Calculated Property
Pc	2333.78	kPa	Joback Calculated Property
Inp	[1211.00; 1211.00]
Inp	1211.00		NIST
Inp	1211.00		NIST
Tboil	418.21	K	Joback Calculated Property
Tc	601.43	K	Joback Calculated Property
Tfus	187.40	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

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

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

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