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-/m1/s1

InChI Key

SYDVLDZWCVEHRQ-HTQZYQBOSA-N

Formula

C9H16O2

SMILES

CC(C)CC1CC(C)C(=O)O1

Molecular Weight¹

156.22

• 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 : 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°	-157.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-463.93	kJ/mol	Joback Calculated Property
ΔfusH°	18.04	kJ/mol	Joback Calculated Property
ΔvapH°	43.95	kJ/mol	Joback Calculated Property
log10WS	-1.98		Crippen Calculated Property
logPoct/wat	1.984		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Pc	2767.17	kPa	Joback Calculated Property
I	[1856.00; 1856.00]
I	1856.00		NIST
I	1856.00		NIST
Tboil	510.26	K	Joback Calculated Property
Tc	722.36	K	Joback Calculated Property
Tfus	277.64	K	Joback Calculated Property
Vc	0.501	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.05; 415.77]	J/mol×K	[510.26; 722.36]
Cp,gas	324.05	J/mol×K	510.26	Joback Calculated Property
Cp,gas	341.28	J/mol×K	545.61	Joback Calculated Property
Cp,gas	357.73	J/mol×K	580.96	Joback Calculated Property
Cp,gas	373.41	J/mol×K	616.31	Joback Calculated Property
Cp,gas	388.31	J/mol×K	651.66	Joback Calculated Property
Cp,gas	402.43	J/mol×K	687.01	Joback Calculated Property
Cp,gas	415.77	J/mol×K	722.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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