Chemical Properties of 3-Methoxy cuminyl alcohol, isobutyryl ester

InChI

InChI=1S/C15H22O3/c1-10(2)13-7-6-12(8-14(13)17-5)9-18-15(16)11(3)4/h6-8,10-11H,9H2,1-5H3

InChI Key

JVOZDVTWETUPPI-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

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

Molecular Weight¹

250.33

• 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°	-175.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-526.92	kJ/mol	Joback Calculated Property
ΔfusH°	24.80	kJ/mol	Joback Calculated Property
ΔvapH°	63.37	kJ/mol	Joback Calculated Property
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	3.518		Crippen Calculated Property
McVol	211.760	ml/mol	McGowan Calculated Property
Pc	1870.79	kPa	Joback Calculated Property
Inp	[1678.00; 1678.00]
Inp	1678.00		NIST
Inp	1678.00		NIST
Tboil	677.07	K	Joback Calculated Property
Tc	881.74	K	Joback Calculated Property
Tfus	374.66	K	Joback Calculated Property
Vc	0.797	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.52; 660.88]	J/mol×K	[677.07; 881.74]
Cp,gas	574.52	J/mol×K	677.07	Joback Calculated Property
Cp,gas	591.25	J/mol×K	711.18	Joback Calculated Property
Cp,gas	607.04	J/mol×K	745.29	Joback Calculated Property
Cp,gas	621.89	J/mol×K	779.41	Joback Calculated Property
Cp,gas	635.81	J/mol×K	813.52	Joback Calculated Property
Cp,gas	648.81	J/mol×K	847.63	Joback Calculated Property
Cp,gas	660.88	J/mol×K	881.74	Joback Calculated Property
η	[0.0000903; 0.0012729]	Pa×s	[374.66; 677.07]
η	0.0012729	Pa×s	374.66	Joback Calculated Property
η	0.0006305	Pa×s	425.06	Joback Calculated Property
η	0.0003625	Pa×s	475.46	Joback Calculated Property
η	0.0002317	Pa×s	525.87	Joback Calculated Property
η	0.0001602	Pa×s	576.27	Joback Calculated Property
η	0.0001175	Pa×s	626.67	Joback Calculated Property
η	0.0000903	Pa×s	677.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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