Chemical Properties of 3-Methoxy cuminyl alcohol, isovaleryl ester

InChI

InChI=1S/C16H24O3/c1-11(2)8-16(17)19-10-13-6-7-14(12(3)4)15(9-13)18-5/h6-7,9,11-12H,8,10H2,1-5H3

InChI Key

STRDLKHJGYWBET-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

COc1cc(COC(=O)CC(C)C)ccc1C(C)C

Molecular Weight¹

264.36

• 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°	-166.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-547.56	kJ/mol	Joback Calculated Property
ΔfusH°	27.39	kJ/mol	Joback Calculated Property
ΔvapH°	65.60	kJ/mol	Joback Calculated Property
log10WS	-4.37		Crippen Calculated Property
logPoct/wat	3.908		Crippen Calculated Property
McVol	225.850	ml/mol	McGowan Calculated Property
Pc	1724.59	kPa	Joback Calculated Property
Inp	[1759.00; 1759.00]
Inp	1759.00		NIST
Inp	1759.00		NIST
Tboil	699.95	K	Joback Calculated Property
Tc	902.14	K	Joback Calculated Property
Tfus	385.93	K	Joback Calculated Property
Vc	0.854	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.86; 716.92]	J/mol×K	[699.95; 902.14]
Cp,gas	628.86	J/mol×K	699.95	Joback Calculated Property
Cp,gas	645.96	J/mol×K	733.65	Joback Calculated Property
Cp,gas	662.08	J/mol×K	767.35	Joback Calculated Property
Cp,gas	677.23	J/mol×K	801.04	Joback Calculated Property
Cp,gas	691.41	J/mol×K	834.74	Joback Calculated Property
Cp,gas	704.64	J/mol×K	868.44	Joback Calculated Property
Cp,gas	716.92	J/mol×K	902.14	Joback Calculated Property
η	[0.0000803; 0.0011827]	Pa×s	[385.93; 699.95]
η	0.0011827	Pa×s	385.93	Joback Calculated Property
η	0.0005780	Pa×s	438.27	Joback Calculated Property
η	0.0003291	Pa×s	490.60	Joback Calculated Property
η	0.0002089	Pa×s	542.94	Joback Calculated Property
η	0.0001436	Pa×s	595.28	Joback Calculated Property
η	0.0001049	Pa×s	647.61	Joback Calculated Property
η	0.0000803	Pa×s	699.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy cuminyl alcohol, isovaleryl ester.

Sources

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

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