Chemical Properties of trans-2,6-Dimethyl-heptan-5-olide

InChI

InChI=1S/C9H16O2/c1-6(2)4-8-5-7(3)9(10)11-8/h6-8H,4-5H2,1-3H3/t7-,8-/m0/s1

InChI Key

SYDVLDZWCVEHRQ-YUMQZZPRSA-N

Formula

C9H16O2

SMILES

CC(C)C[C@H]1C[C@H](C)C(=O)O1

Molecular Weight¹

156.23

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.12	kJ/mol	Joback Calculated Property
logPoct/wat	1.984		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Ip	[1856.00; 1856.00]
Ip	1856.00		NIST
Ip	1856.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.25; 478.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.58690e+01
Coefficient B			9.34360e-01
Coefficient C			-5.39200e-04
Coefficient D			1.09400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.25	J/mol×K	273.00	Calculated Property
Cp,gas	242.05	J/mol×K	353.78	Calculated Property
Cp,gas	287.32	J/mol×K	434.56	Calculated Property
Cp,gas	327.42	J/mol×K	515.33	Calculated Property
Cp,gas	362.68	J/mol×K	596.11	Calculated Property
Cp,gas	393.47	J/mol×K	676.89	Calculated Property
Cp,gas	420.11	J/mol×K	757.67	Calculated Property
Cp,gas	442.97	J/mol×K	838.44	Calculated Property
Cp,gas	462.38	J/mol×K	919.22	Calculated Property
Cp,gas	478.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023758; 0.0004167]	Pa×s	[232.22; 456.97]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.58170e+00
Coefficient B			8.21890e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			232.22
Temperature range, max.			456.97
η	0.0023758	Pa×s	232.22	Calculated Property
η	0.0016848	Pa×s	257.19	Calculated Property
η	0.0012698	Pa×s	282.16	Calculated Property
η	0.0010020	Pa×s	307.14	Calculated Property
η	0.0008194	Pa×s	332.11	Calculated Property
η	0.0006892	Pa×s	357.08	Calculated Property
η	0.0005929	Pa×s	382.05	Calculated Property
η	0.0005196	Pa×s	407.03	Calculated Property
η	0.0004624	Pa×s	432.00	Calculated Property
η	0.0004167	Pa×s	456.97	Calculated Property

Similar Compounds

Find more compounds similar to trans-2,6-Dimethyl-heptan-5-olide.

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

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