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_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_np : Non-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°	-273.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-586.23	kJ/mol	Joback Calculated Property
ΔfusH°	21.88	kJ/mol	Joback Calculated Property
ΔvapH°	55.21	kJ/mol	Joback Calculated Property
log10WS	-1.50		Crippen Calculated Property
logPoct/wat	1.657		Crippen Calculated Property
McVol	164.000	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Inp	[1303.00; 1303.00]
Inp	1303.00		NIST
Inp	1303.00		NIST
Tboil	581.53	K	Joback Calculated Property
Tc	784.31	K	Joback Calculated Property
Tfus	315.31	K	Joback Calculated Property
Vc	0.625	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.50; 520.31]	J/mol×K	[581.53; 784.31]
Cp,gas	430.50	J/mol×K	581.53	Joback Calculated Property
Cp,gas	447.67	J/mol×K	615.33	Joback Calculated Property
Cp,gas	463.95	J/mol×K	649.12	Joback Calculated Property
Cp,gas	479.34	J/mol×K	682.92	Joback Calculated Property
Cp,gas	493.86	J/mol×K	716.72	Joback Calculated Property
Cp,gas	507.51	J/mol×K	750.51	Joback Calculated Property
Cp,gas	520.31	J/mol×K	784.31	Joback Calculated Property
η	[0.0003957; 0.0028519]	Pa×s	[315.31; 581.53]
η	0.0028519	Pa×s	315.31	Joback Calculated Property
η	0.0016749	Pa×s	359.68	Joback Calculated Property
η	0.0011056	Pa×s	404.05	Joback Calculated Property
η	0.0007923	Pa×s	448.42	Joback Calculated Property
η	0.0006029	Pa×s	492.79	Joback Calculated Property
η	0.0004800	Pa×s	537.16	Joback Calculated Property
η	0.0003957	Pa×s	581.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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