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).
• 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°	21.91	kJ/mol	Joback Calculated Property
logPoct/wat	2.150		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Ip	[2058.00; 2058.00]
Ip	2058.00		NIST
Ip	2058.00		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	[198.46; 499.70]	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			-4.09600e+01
Coefficient B			1.04936e+00
Coefficient C			-6.77400e-04
Coefficient D			1.68700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.46	J/mol×K	273.00	Calculated Property
Cp,gas	252.97	J/mol×K	353.78	Calculated Property
Cp,gas	300.97	J/mol×K	434.56	Calculated Property
Cp,gas	343.00	J/mol×K	515.33	Calculated Property
Cp,gas	379.60	J/mol×K	596.11	Calculated Property
Cp,gas	411.29	J/mol×K	676.89	Calculated Property
Cp,gas	438.61	J/mol×K	757.67	Calculated Property
Cp,gas	462.10	J/mol×K	838.44	Calculated Property
Cp,gas	482.28	J/mol×K	919.22	Calculated Property
Cp,gas	499.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023580; 0.0003577]	Pa×s	[238.41; 480.56]	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			-9.79263e+00
Coefficient B			8.92290e+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.			238.41
Temperature range, max.			480.56
η	0.0023580	Pa×s	238.41	Calculated Property
η	0.0016133	Pa×s	265.32	Calculated Property
η	0.0011837	Pa×s	292.22	Calculated Property
η	0.0009150	Pa×s	319.13	Calculated Property
η	0.0007362	Pa×s	346.03	Calculated Property
η	0.0006112	Pa×s	372.94	Calculated Property
η	0.0005203	Pa×s	399.84	Calculated Property
η	0.0004520	Pa×s	426.75	Calculated Property
η	0.0003993	Pa×s	453.65	Calculated Property
η	0.0003577	Pa×s	480.56	Calculated Property

Similar Compounds

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