Chemical Properties of (S)-(-)-Citronellic acid, 4,4-dimethyloxazoline (dmox) derivative

InChI

InChI=1S/C14H25NO/c1-11(2)7-6-8-12(3)9-13-15-14(4,5)10-16-13/h7,12H,6,8-10H2,1-5H3

InChI Key

MEMKUNKVVADDCW-UHFFFAOYSA-N

Formula

C14H25NO

SMILES

CC(C)=CCCC(C)CC1=NC(C)(C)CO1

Molecular Weight¹

223.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	218.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.14	kJ/mol	Joback Calculated Property
ΔfusH°	28.97	kJ/mol	Joback Calculated Property
ΔvapH°	57.19	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.966		Crippen Calculated Property
McVol	204.510	ml/mol	McGowan Calculated Property
Pc	1959.60	kPa	Joback Calculated Property
Inp	[1450.60; 1450.60]
Inp	1450.60		NIST
Inp	1450.60		NIST
Tboil	623.63	K	Joback Calculated Property
Tc	836.81	K	Joback Calculated Property
Tfus	359.69	K	Joback Calculated Property
Vc	0.789	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.32; 672.91]	J/mol×K	[623.63; 836.81]
Cp,gas	566.32	J/mol×K	623.63	Joback Calculated Property
Cp,gas	586.37	J/mol×K	659.16	Joback Calculated Property
Cp,gas	605.34	J/mol×K	694.69	Joback Calculated Property
Cp,gas	623.36	J/mol×K	730.22	Joback Calculated Property
Cp,gas	640.55	J/mol×K	765.75	Joback Calculated Property
Cp,gas	657.02	J/mol×K	801.28	Joback Calculated Property
Cp,gas	672.91	J/mol×K	836.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to (S)-(-)-Citronellic acid, 4,4-dimethyloxazoline (dmox) derivative.

Sources

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

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