Chemical Properties of cis-«beta»-Methyloctalactone

InChI

InChI=1S/C9H16O2/c1-3-4-8-6-5-7(2)9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1

InChI Key

HPBBFVUDQZEVHN-JGVFFNPUSA-N

Formula

C9H16O2

SMILES

CCCC1CCC(C)C(=O)O1

Molecular Weight¹

156.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-485.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.54	kJ/mol	Joback Calculated Property
ΔvapH°	67.25	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Inp	[1281.00; 1281.00]
Inp	1281.00		NIST
Inp	1281.00		NIST
Ip	[1968.00; 1968.00]
Ip	1968.00		NIST
Ip	1968.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[186.67; 479.93]	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			-2.93080e+01
Coefficient B			9.18840e-01
Coefficient C			-4.89600e-04
Coefficient D			8.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.67	J/mol×K	273.00	Calculated Property
Cp,gas	238.02	J/mol×K	353.78	Calculated Property
Cp,gas	284.09	J/mol×K	434.56	Calculated Property
Cp,gas	325.13	J/mol×K	515.33	Calculated Property
Cp,gas	361.39	J/mol×K	596.11	Calculated Property
Cp,gas	393.13	J/mol×K	676.89	Calculated Property
Cp,gas	420.60	J/mol×K	757.67	Calculated Property
Cp,gas	444.06	J/mol×K	838.44	Calculated Property
Cp,gas	463.75	J/mol×K	919.22	Calculated Property
Cp,gas	479.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025960; 0.0003748]	Pa×s	[243.70; 462.27]	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			-1.00467e+01
Coefficient B			9.97440e+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.			243.70
Temperature range, max.			462.27
η	0.0025960	Pa×s	243.70	Calculated Property
η	0.0017915	Pa×s	267.99	Calculated Property
η	0.0013149	Pa×s	292.27	Calculated Property
η	0.0010120	Pa×s	316.56	Calculated Property
η	0.0008085	Pa×s	340.84	Calculated Property
η	0.0006655	Pa×s	365.13	Calculated Property
η	0.0005613	Pa×s	389.41	Calculated Property
η	0.0004829	Pa×s	413.70	Calculated Property
η	0.0004225	Pa×s	437.98	Calculated Property
η	0.0003748	Pa×s	462.27	Calculated Property

Similar Compounds

Find more compounds similar to cis-«beta»-Methyloctalactone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.