Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, 2,3-dichlorophenyl ester

InChI

InChI=1S/C15H20Cl2O2/c1-10(9-15(2,3)4)8-13(18)19-12-7-5-6-11(16)14(12)17/h5-7,10H,8-9H2,1-4H3

InChI Key

GPORBFFXACEAEP-UHFFFAOYSA-N

Formula

C15H20Cl2O2

SMILES

CC(CC(=O)Oc1cccc(Cl)c1Cl)CC(C)(C)C

Molecular Weight¹

303.22

• 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°	-88.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-429.65	kJ/mol	Joback Calculated Property
ΔfusH°	28.11	kJ/mol	Joback Calculated Property
ΔvapH°	68.83	kJ/mol	Joback Calculated Property
log10WS	-5.60		Crippen Calculated Property
logPoct/wat	5.361		Crippen Calculated Property
McVol	230.370	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[1968.00; 1968.00]
Inp	1968.00		NIST
Inp	1968.00		NIST
Tboil	726.72	K	Joback Calculated Property
Tc	946.78	K	Joback Calculated Property
Tfus	429.69	K	Joback Calculated Property
Vc	0.873	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.50; 681.10]	J/mol×K	[726.72; 946.78]
Cp,gas	605.50	J/mol×K	726.72	Joback Calculated Property
Cp,gas	620.55	J/mol×K	763.40	Joback Calculated Property
Cp,gas	634.56	J/mol×K	800.07	Joback Calculated Property
Cp,gas	647.56	J/mol×K	836.75	Joback Calculated Property
Cp,gas	659.62	J/mol×K	873.43	Joback Calculated Property
Cp,gas	670.78	J/mol×K	910.11	Joback Calculated Property
Cp,gas	681.10	J/mol×K	946.78	Joback Calculated Property
η	[0.0000857; 0.0010589]	Pa×s	[429.69; 726.72]
η	0.0010589	Pa×s	429.69	Joback Calculated Property
η	0.0005609	Pa×s	479.19	Joback Calculated Property
η	0.0003347	Pa×s	528.70	Joback Calculated Property
η	0.0002181	Pa×s	578.21	Joback Calculated Property
η	0.0001521	Pa×s	627.71	Joback Calculated Property
η	0.0001118	Pa×s	677.22	Joback Calculated Property
η	0.0000857	Pa×s	726.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 2,3-dichlorophenyl ester.

Sources

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

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