Chemical Properties of Geranyl tiglate (CAS 7785-33-3)

InChI

InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+

InChI Key

OGHBUHJLMHQMHS-KRDNBFTESA-N

Formula

C15H24O2

SMILES

CC=C(C)C(=O)OCC=C(C)CCC=C(C)C

Molecular Weight¹

236.35

CAS

7785-33-3

Other Names

• 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E)-
• 2,6-Octadien-1-ol, 3,7-dimethyl-, 2-methyl-2-butenoate, (E,E)--
• cis-«alpha»,«beta»-Dimethyl acrylic acid, geraniol ester
• trans-3,7-Dimethyl-2,6-octadien-1-yl cis-«alpha»,«beta»-dimethyl acrylate
• Tiglic acid, geraniol ester
• (2E)-3,7-Dimethyl-2,6-octadienyl (2E)-2-methyl-2-butenoate
• (E)-(E)-3,7-Dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate
• (E)-3,7-Dimethylocta-2,6-dienyl (E)-2-methylbut-2-enoate
• Gernyl tiglate
• Geranyl (E)-2-methyl-2-butenoate
• (E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate

• 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°	56.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.44	kJ/mol	Joback Calculated Property
ΔfusH°	34.07	kJ/mol	Joback Calculated Property
ΔvapH°	58.25	kJ/mol	Joback Calculated Property
log10WS	-4.52		Crippen Calculated Property
logPoct/wat	4.189		Crippen Calculated Property
McVol	216.750	ml/mol	McGowan Calculated Property
Pc	1678.28	kPa	Joback Calculated Property
Inp	[1649.00; 1712.00]
Inp	1704.00		NIST
Inp	1675.00		NIST
Inp	1675.00		NIST
Inp	1675.00		NIST
Inp	1671.00		NIST
Inp	1675.00		NIST
Inp	1675.00		NIST
Inp	1672.00		NIST
Inp	Outlier 1649.00		NIST
Inp	1688.00		NIST
Inp	1700.00		NIST
Inp	1703.00		NIST
Inp	1695.00		NIST
Inp	1705.00		NIST
Inp	1700.00		NIST
Inp	1703.00		NIST
Inp	1712.00		NIST
Inp	1696.00		NIST
Inp	1672.00		NIST
Inp	1700.00		NIST
Inp	1673.00		NIST
Inp	1659.00		NIST
Inp	1700.00		NIST
Inp	1703.00		NIST
Inp	Outlier 1649.00		NIST
I	[2096.00; 2129.00]
I	2129.00		NIST
I	2097.00		NIST
I	2105.00		NIST
I	2109.00		NIST
I	2096.00		NIST
I	2109.00		NIST
Tboil	631.01	K	Joback Calculated Property
Tc	824.40	K	Joback Calculated Property
Tfus	273.85	K	Joback Calculated Property
Vc	0.843	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.71; 647.37]	J/mol×K	[631.01; 824.40]
Cp,gas	558.71	J/mol×K	631.01	Joback Calculated Property
Cp,gas	575.50	J/mol×K	663.24	Joback Calculated Property
Cp,gas	591.43	J/mol×K	695.47	Joback Calculated Property
Cp,gas	606.52	J/mol×K	727.71	Joback Calculated Property
Cp,gas	620.85	J/mol×K	759.94	Joback Calculated Property
Cp,gas	634.44	J/mol×K	792.17	Joback Calculated Property
Cp,gas	647.37	J/mol×K	824.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Geranyl tiglate.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.