Chemical Properties of Hexyl tiglate (CAS 16930-96-4)

InChI

InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+

InChI Key

JTCIUOKKVACNCK-BJMVGYQFSA-N

Formula

C11H20O2

SMILES

CC=C(C)C(=O)OCCCCCC

Molecular Weight¹

184.28

CAS

16930-96-4

Other Names

• hexyl 2-methyl-2-butenoate
• hexyl crotonate

• 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.
• 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°	-120.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-407.74	kJ/mol	Joback Calculated Property
ΔfusH°	25.92	kJ/mol	Joback Calculated Property
ΔvapH°	49.27	kJ/mol	Joback Calculated Property
log10WS	-3.14		Crippen Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Pc	2121.68	kPa	Joback Calculated Property
Inp	[1306.00; 1337.00]
Inp	1330.00		NIST
Inp	1335.00		NIST
Inp	1331.00		NIST
Inp	1331.00		NIST
Inp	1331.00		NIST
Inp	1331.00		NIST
Inp	1337.00		NIST
Inp	1330.00		NIST
Inp	1330.00		NIST
Inp	1333.40		NIST
Inp	1331.00		NIST
Inp	Outlier 1310.00		NIST
Inp	1330.00		NIST
Inp	1329.00		NIST
Inp	1328.00		NIST
Inp	1316.00		NIST
Inp	1329.00		NIST
Inp	Outlier 1306.00		NIST
Inp	1326.00		NIST
Inp	1330.00		NIST
Inp	1330.00		NIST
Inp	1316.00		NIST
Inp	1333.00		NIST
Inp	Outlier 1310.00		NIST
Inp	1329.00		NIST
Inp	1330.00		NIST
Inp	1331.00		NIST
Inp	Outlier 1310.00		NIST
Inp	1331.00		NIST
Inp	1316.00		NIST
Inp	1330.00		NIST
Inp	1333.40		NIST
I	[1602.00; 1631.00]
I	Outlier 1602.00		NIST
I	1622.00		NIST
I	1631.00		NIST
I	1631.00		NIST
I	1621.00		NIST
I	1631.00		NIST
I	1622.00		NIST
Tboil	531.41	K	Joback Calculated Property
Tc	712.45	K	Joback Calculated Property
Tfus	266.85	K	Joback Calculated Property
Vc	0.656	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.17; 476.80]	J/mol×K	[531.41; 712.45]
Cp,gas	397.17	J/mol×K	531.41	Joback Calculated Property
Cp,gas	412.00	J/mol×K	561.58	Joback Calculated Property
Cp,gas	426.18	J/mol×K	591.76	Joback Calculated Property
Cp,gas	439.73	J/mol×K	621.93	Joback Calculated Property
Cp,gas	452.68	J/mol×K	652.10	Joback Calculated Property
Cp,gas	465.03	J/mol×K	682.28	Joback Calculated Property
Cp,gas	476.80	J/mol×K	712.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexyl tiglate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.