Chemical Properties of 3,7-Dimethyl-oct-6-en-4-olide

InChI

InChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4-5,7-9H,6H2,1-3H3/b5-4+

InChI Key

MLFXHMZNLOGDGV-SNAWJCMRSA-N

Formula

C10H16O2

SMILES

CC(C)C=CC1OC(=O)CC1C

Molecular Weight¹

168.23

• 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°	-68.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-367.35	kJ/mol	Joback Calculated Property
ΔfusH°	20.83	kJ/mol	Joback Calculated Property
ΔvapH°	46.13	kJ/mol	Joback Calculated Property
log10WS	-2.25		Crippen Calculated Property
logPoct/wat	2.150		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2643.39	kPa	Joback Calculated Property
I	[2058.00; 2058.00]
I	2058.00		NIST
I	2058.00		NIST
Tboil	537.30	K	Joback Calculated Property
Tc	755.78	K	Joback Calculated Property
Tfus	283.83	K	Joback Calculated Property
Vc	0.537	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.30; 446.14]	J/mol×K	[537.30; 755.78]
Cp,gas	353.30	J/mol×K	537.30	Joback Calculated Property
Cp,gas	371.01	J/mol×K	573.71	Joback Calculated Property
Cp,gas	387.82	J/mol×K	610.13	Joback Calculated Property
Cp,gas	403.72	J/mol×K	646.54	Joback Calculated Property
Cp,gas	418.73	J/mol×K	682.95	Joback Calculated Property
Cp,gas	432.87	J/mol×K	719.37	Joback Calculated Property
Cp,gas	446.14	J/mol×K	755.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Dimethyl-oct-6-en-4-olide.

Sources

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

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