Chemical Properties of .gamma.-jasmolactone

InChI

InChI=1S/C10H16O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-

InChI Key

NKNGVPNCSFZRSM-ARJAWSKDSA-N

Formula

C10H16O2

SMILES

CC/C=C\CCC1CCC(=O)O1

Molecular Weight¹

168.24

Other Names

• Dec-7(Z)-en-4-olide

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-410.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.36	kJ/mol	Joback Calculated Property
ΔvapH°	73.42	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.438		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Inp	[1418.00; 1443.00]
Inp	1418.00		NIST
Inp	1443.00		NIST
Inp	1418.00		NIST
Inp	1443.00		NIST
Ip	[2176.00; 2214.00]
Ip	2181.00		NIST
Ip	2197.00		NIST
Ip	2176.00		NIST
Ip	2176.00		NIST
Ip	2214.00		NIST
Ip	2181.00		NIST
Tboil	558.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[196.51; 492.50]	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			-4.52170e+01
Coefficient B			1.06992e+00
Coefficient C			-7.29600e-04
Coefficient D			1.97400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.51	J/mol×K	273.00	Calculated Property
Cp,gas	250.72	J/mol×K	353.78	Calculated Property
Cp,gas	298.14	J/mol×K	434.56	Calculated Property
Cp,gas	339.41	J/mol×K	515.33	Calculated Property
Cp,gas	375.13	J/mol×K	596.11	Calculated Property
Cp,gas	405.93	J/mol×K	676.89	Calculated Property
Cp,gas	432.45	J/mol×K	757.67	Calculated Property
Cp,gas	455.30	J/mol×K	838.44	Calculated Property
Cp,gas	475.11	J/mol×K	919.22	Calculated Property
Cp,gas	492.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027125; 0.0003714]	Pa×s	[257.65; 481.42]	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			-1.01876e+01
Coefficient B			1.10216e+03
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.			257.65
Temperature range, max.			481.42
η	0.0027125	Pa×s	257.65	Calculated Property
η	0.0018615	Pa×s	282.51	Calculated Property
η	0.0013578	Pa×s	307.38	Calculated Property
η	0.0010382	Pa×s	332.24	Calculated Property
η	0.0008241	Pa×s	357.10	Calculated Property
η	0.0006741	Pa×s	381.96	Calculated Property
η	0.0005651	Pa×s	406.83	Calculated Property
η	0.0004835	Pa×s	431.69	Calculated Property
η	0.0004207	Pa×s	456.55	Calculated Property
η	0.0003714	Pa×s	481.42	Calculated Property

Similar Compounds

Find more compounds similar to .gamma.-jasmolactone.

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.