Chemical Properties of Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- (CAS 10402-47-8)

InChI

InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11+

InChI Key

CVSWGLSBJFKWMW-SDNWHVSQSA-N

Formula

C15H26O2

SMILES

CCCCC(=O)OCC=C(C)CCC=C(C)C

Molecular Weight¹

238.37

CAS

10402-47-8

Other Names

• (2E)-3,7-Dimethyl-2,6-octadienyl pentanoate
• Geranyl pentanoate
• Geranyl valerate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-520.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.76	kJ/mol	Joback Calculated Property
ΔvapH°	74.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	4.412		Crippen Calculated Property
McVol	221.050	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[1584.00; 1677.00]
Inp	1659.00		NIST
Inp	1630.00		NIST
Inp	1629.00		NIST
Inp	1633.00		NIST
Inp	1629.00		NIST
Inp	1624.00		NIST
Inp	1630.00		NIST
Inp	1641.00		NIST
Inp	Outlier 1677.00		NIST
Inp	1658.90		NIST
Inp	Outlier 1584.00		NIST
Inp	1649.00		NIST
Inp	1642.00		NIST
Inp	1636.00		NIST
Inp	1640.00		NIST
Inp	1625.00		NIST
Inp	1642.00		NIST
Inp	1632.00		NIST
Inp	1659.00		NIST
Inp	1624.00		NIST
Inp	1658.90		NIST
I	[1953.00; 1994.00]
I	1983.00		NIST
I	1994.00		NIST
I	1953.00		NIST
I	1964.00		NIST
I	1960.00		NIST
I	1994.00		NIST
I	1983.00		NIST
Tboil	543.96	K	Relay (1.0) Calculated Property
Tc	718.44	K	Relay (1.0) Calculated Property
Tfus	215.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.55; 664.15]	J/mol×K	[609.10; 790.62]
Cp,gas	572.55	J/mol×K	609.10	Joback Calculated Property
Cp,gas	589.85	J/mol×K	639.35	Joback Calculated Property
Cp,gas	606.29	J/mol×K	669.61	Joback Calculated Property
Cp,gas	621.91	J/mol×K	699.86	Joback Calculated Property
Cp,gas	636.73	J/mol×K	730.11	Joback Calculated Property
Cp,gas	650.80	J/mol×K	760.37	Joback Calculated Property
Cp,gas	664.15	J/mol×K	790.62	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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