Chemical Properties of 1-(1-Methoxypropan-2-yloxy)propan-2-yl 3,5,5-trimethylhexanoate

InChI

InChI=1S/C16H32O4/c1-12(9-16(4,5)6)8-15(17)20-14(3)11-19-13(2)10-18-7/h12-14H,8-11H2,1-7H3

InChI Key

NFVCTDXZJVLHNR-UHFFFAOYSA-N

Formula

C16H32O4

SMILES

COCC(C)OCC(C)OC(=O)CC(C)CC(C)(C)C

Molecular Weight¹

288.42

• 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°	-364.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-907.40	kJ/mol	Joback Calculated Property
ΔfusH°	24.38	kJ/mol	Joback Calculated Property
ΔvapH°	62.73	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen Calculated Property
logPoct/wat	3.432		Crippen Calculated Property
McVol	255.480	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST
Tboil	682.06	K	Joback Calculated Property
Tc	863.43	K	Joback Calculated Property
Tfus	344.12	K	Joback Calculated Property
Vc	0.963	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.11; 839.35]	J/mol×K	[682.06; 863.43]
Cp,gas	741.11	J/mol×K	682.06	Joback Calculated Property
Cp,gas	759.79	J/mol×K	712.29	Joback Calculated Property
Cp,gas	777.53	J/mol×K	742.52	Joback Calculated Property
Cp,gas	794.34	J/mol×K	772.74	Joback Calculated Property
Cp,gas	810.24	J/mol×K	802.97	Joback Calculated Property
Cp,gas	825.24	J/mol×K	833.20	Joback Calculated Property
Cp,gas	839.35	J/mol×K	863.43	Joback Calculated Property
η	[0.0000489; 0.0026908]	Pa×s	[344.12; 682.06]
η	0.0026908	Pa×s	344.12	Joback Calculated Property
η	0.0008626	Pa×s	400.44	Joback Calculated Property
η	0.0003661	Pa×s	456.77	Joback Calculated Property
η	0.0001875	Pa×s	513.09	Joback Calculated Property
η	0.0001096	Pa×s	569.41	Joback Calculated Property
η	0.0000706	Pa×s	625.74	Joback Calculated Property
η	0.0000489	Pa×s	682.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(1-Methoxypropan-2-yloxy)propan-2-yl 3,5,5-trimethylhexanoate.

Sources

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

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