Chemical Properties of 2,4,4-trimethyl pentyl 3,5,5-trimethyl hexanoate

InChI

InChI=1S/C17H34O2/c1-13(10-16(3,4)5)9-15(18)19-12-14(2)11-17(6,7)8/h13-14H,9-12H2,1-8H3

InChI Key

FINRZAGSLZQHHT-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CC(COC(=O)CC(C)CC(C)(C)C)CC(C)(C)C

Molecular Weight¹

270.45

• 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 : 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°	-140.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-667.07	kJ/mol	Joback Calculated Property
ΔfusH°	20.70	kJ/mol	Joback Calculated Property
ΔvapH°	59.22	kJ/mol	Joback Calculated Property
log10WS	-4.83		Crippen Calculated Property
logPoct/wat	5.064		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1322.31	kPa	Joback Calculated Property
I	[1706.00; 1706.00]
I	1706.00		NIST
I	1706.00		NIST
Tboil	657.31	K	Joback Calculated Property
Tc	843.23	K	Joback Calculated Property
Tfus	328.35	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.56; 842.98]	J/mol×K	[657.31; 843.23]
Cp,gas	737.56	J/mol×K	657.31	Joback Calculated Property
Cp,gas	757.68	J/mol×K	688.30	Joback Calculated Property
Cp,gas	776.71	J/mol×K	719.28	Joback Calculated Property
Cp,gas	794.71	J/mol×K	750.27	Joback Calculated Property
Cp,gas	811.72	J/mol×K	781.25	Joback Calculated Property
Cp,gas	827.79	J/mol×K	812.24	Joback Calculated Property
Cp,gas	842.98	J/mol×K	843.23	Joback Calculated Property
η	[0.0000689; 0.0051939]	Pa×s	[328.35; 657.31]
η	0.0051939	Pa×s	328.35	Joback Calculated Property
η	0.0015092	Pa×s	383.18	Joback Calculated Property
η	0.0005975	Pa×s	438.00	Joback Calculated Property
η	0.0002908	Pa×s	492.83	Joback Calculated Property
η	0.0001634	Pa×s	547.66	Joback Calculated Property
η	0.0001020	Pa×s	602.48	Joback Calculated Property
η	0.0000689	Pa×s	657.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,4-trimethyl pentyl 3,5,5-trimethyl hexanoate.

Sources

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

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