Chemical Properties of Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- (CAS 10032-02-7)

InChI

InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+

InChI Key

ARVSCQUZFFSNKF-NTCAYCPXSA-N

Formula

C16H28O2

SMILES

CCCCCC(=O)OCC=C(C)CCC=C(C)C

Molecular Weight¹

252.39

CAS

10032-02-7

Other Names

• 2,6-Octadien-1-ol, 3,7-dimethyl-, hexanoate, (E)-
• (E)-3,7-Dimethylocta-2,6-dien-1-yl n-hexanoate
• Geranyl caproate
• Geranyl hexanoate
• Hexanoic acid, 3,7-dimethylocta-2,6-dien-1-yl ester, (E)-
• Geranyl n-hexanoate
• (2E)-3,7-Dimethyl-2,6-octadienyl hexanoate
• Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
• Hexanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester

• 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°	-6.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-403.51	kJ/mol	Joback Calculated Property
ΔfusH°	37.77	kJ/mol	Joback Calculated Property
ΔvapH°	60.44	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	4.803		Crippen Calculated Property
McVol	235.140	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[1711.00; 1756.00]
Inp	1756.00		NIST
Inp	1723.00		NIST
Inp	1723.00		NIST
Inp	1737.00		NIST
Inp	1722.00		NIST
Inp	1723.00		NIST
Inp	1718.00		NIST
Inp	1723.00		NIST
Inp	1733.00		NIST
Inp	1725.00		NIST
Inp	1755.00		NIST
Inp	1711.00		NIST
Inp	1755.70		NIST
Inp	1726.00		NIST
Inp	1726.00		NIST
Inp	1718.00		NIST
Inp	1735.00		NIST
Inp	1731.00		NIST
Inp	1731.00		NIST
Inp	1731.00		NIST
Inp	1727.00		NIST
Inp	1756.00		NIST
Inp	1723.00		NIST
I	[2075.00; 2105.00]
I	2075.00		NIST
I	2105.00		NIST
I	2105.00		NIST
Tboil	649.85	K	Joback Calculated Property
Tc	832.31	K	Joback Calculated Property
Tfus	304.16	K	Joback Calculated Property
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.54; 726.35]	J/mol×K	[649.85; 832.31]
Cp,gas	633.54	J/mol×K	649.85	Joback Calculated Property
Cp,gas	650.98	J/mol×K	680.26	Joback Calculated Property
Cp,gas	667.59	J/mol×K	710.67	Joback Calculated Property
Cp,gas	683.39	J/mol×K	741.08	Joback Calculated Property
Cp,gas	698.43	J/mol×K	771.49	Joback Calculated Property
Cp,gas	712.73	J/mol×K	801.90	Joback Calculated Property
Cp,gas	726.35	J/mol×K	832.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-.

Sources

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

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