Chemical Properties of 1-«alpha»,2-«alpha»,5-«alpha»-Nepetonic acid, methyl ester

InChI

InChI=1S/C11H18O3/c1-7-4-5-9(8(2)6-12)10(7)11(13)14-3/h6-10H,4-5H2,1-3H3/t7-,8?,9-,10-/m0/s1

InChI Key

PWAGNDORTYARTI-HFXXUHSDSA-N

Formula

C11H18O3

SMILES

COC(=O)C1C(C)CCC1C(C)C=O

Molecular Weight¹

198.26

• 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_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.46	kJ/mol	Joback Calculated Property
logPoct/wat	1.657		Crippen Calculated Property
McVol	164.000	ml/mol	McGowan Calculated Property
Inp	[1303.00; 1303.00]
Inp	1303.00		NIST
Inp	1303.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.18; 515.62]	J/mol×K	[563.66; 764.04]
Cp,gas	424.18	J/mol×K	563.66	Joback Calculated Property
Cp,gas	441.71	J/mol×K	597.06	Joback Calculated Property
Cp,gas	458.31	J/mol×K	630.45	Joback Calculated Property
Cp,gas	473.98	J/mol×K	663.85	Joback Calculated Property
Cp,gas	488.76	J/mol×K	697.25	Joback Calculated Property
Cp,gas	502.63	J/mol×K	730.65	Joback Calculated Property
Cp,gas	515.62	J/mol×K	764.04	Joback Calculated Property
η	[0.0003517; 0.0038341]	Pa×s	[285.48; 563.66]
η	0.0038341	Pa×s	285.48	Joback Calculated Property
η	0.0019496	Pa×s	331.84	Joback Calculated Property
η	0.0011702	Pa×s	378.21	Joback Calculated Property
η	0.0007852	Pa×s	424.57	Joback Calculated Property
η	0.0005699	Pa×s	470.93	Joback Calculated Property
η	0.0004381	Pa×s	517.30	Joback Calculated Property
η	0.0003517	Pa×s	563.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-«alpha»,2-«alpha»,5-«alpha»-Nepetonic acid, methyl ester.

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.
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