Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

InChI

InChI=1S/C19H32O2/c1-14(2)9-10-17(11-15(3)4)21-18(20)12-16(5)13-19(6,7)8/h15-17H,1,11-13H2,2-8H3

InChI Key

FLZLQYVTCYHIRW-UHFFFAOYSA-N

Formula

C19H32O2

SMILES

C=C(C)C#CC(CC(C)C)OC(=O)CC(C)CC(C)(C)C

Molecular Weight¹

292.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	152.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.94	kJ/mol	Joback Calculated Property
ΔfusH°	30.30	kJ/mol	Joback Calculated Property
ΔvapH°	66.15	kJ/mol	Joback Calculated Property
log10WS	-5.67		Crippen Calculated Property
logPoct/wat	4.986		Crippen Calculated Property
McVol	273.110	ml/mol	McGowan Calculated Property
Pc	1326.17	kPa	Joback Calculated Property
Inp	[1724.00; 1724.00]
Inp	1724.00		NIST
Inp	1724.00		NIST
Tboil	711.42	K	Joback Calculated Property
Tc	910.99	K	Joback Calculated Property
Tfus	423.85	K	Joback Calculated Property
Vc	1.038	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.81; 885.29]	J/mol×K	[711.42; 910.99]
Cp,gas	782.81	J/mol×K	711.42	Joback Calculated Property
Cp,gas	802.51	J/mol×K	744.68	Joback Calculated Property
Cp,gas	821.10	J/mol×K	777.94	Joback Calculated Property
Cp,gas	838.63	J/mol×K	811.20	Joback Calculated Property
Cp,gas	855.14	J/mol×K	844.46	Joback Calculated Property
Cp,gas	870.67	J/mol×K	877.73	Joback Calculated Property
Cp,gas	885.29	J/mol×K	910.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Sources

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

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