Chemical Properties of trans-Geranic acid methyl ester (CAS 1189-09-9)

InChI

InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+

InChI Key

ACOBBFVLNKYODD-CSKARUKUSA-N

Formula

C11H18O2

SMILES

COC(=O)C=C(C)CCC=C(C)C

Molecular Weight¹

182.26

CAS

1189-09-9

Other Names

• 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (E)-
• E-Methylgeranate
• Geranic acid methyl ester
• Methyl geranoate
• Methyl trans-geranate
• Methyl geranate
• Methyl (2E)-3,7-dimethyl-2,6-octadienoate
• (E)-Geranic acid methyl ester
• Methyl 2,6-octadienoate, 3,7-dimethyl, (E)-
• Methyl (E)-2,6-octadienoate, 3,7-dimethyl
• Methyl E-geranate
• Methyl (E)-geraniate
• 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2E)-
• methyl (E)-3,7-dimethylocta-2,6-dienoate

• 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°	-48.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.31	kJ/mol	Joback Calculated Property
ΔfusH°	24.82	kJ/mol	Joback Calculated Property
ΔvapH°	49.31	kJ/mol	Joback Calculated Property
log10WS	-3.00		Crippen Calculated Property
logPoct/wat	2.852		Crippen Calculated Property
McVol	164.690	ml/mol	McGowan Calculated Property
Pc	2237.64	kPa	Joback Calculated Property
Inp	[1270.00; 1336.00]
Inp	Outlier 1270.00		NIST
Inp	1319.00		NIST
Inp	1324.00		NIST
Inp	1316.00		NIST
Inp	1284.00		NIST
Inp	1302.00		NIST
Inp	1321.70		NIST
Inp	1302.00		NIST
Inp	1336.00		NIST
Inp	1321.00		NIST
Inp	1305.00		NIST
Inp	1301.00		NIST
Inp	1301.00		NIST
Inp	1326.00		NIST
Inp	1326.00		NIST
Inp	1326.00		NIST
Inp	1313.00		NIST
Inp	1315.00		NIST
Inp	1324.00		NIST
Inp	1326.00		NIST
Inp	1308.00		NIST
Inp	1301.00		NIST
Inp	1321.70		NIST
Inp	1319.00		NIST
Inp	1321.00		NIST
Inp	1324.00		NIST
Inp	Outlier 1270.00		NIST
I	[1620.00; 1679.00]
I	1620.00		NIST
I	1677.00		NIST
I	1679.00		NIST
I	1678.00		NIST
I	1629.00		NIST
I	1620.00		NIST
I	1629.00		NIST
Tboil	535.45	K	Joback Calculated Property
Tc	727.53	K	Joback Calculated Property
Tfus	247.81	K	Joback Calculated Property
Vc	0.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.86; 456.47]	J/mol×K	[535.45; 727.53]
Cp,gas	378.86	J/mol×K	535.45	Joback Calculated Property
Cp,gas	393.51	J/mol×K	567.46	Joback Calculated Property
Cp,gas	407.43	J/mol×K	599.48	Joback Calculated Property
Cp,gas	420.66	J/mol×K	631.49	Joback Calculated Property
Cp,gas	433.22	J/mol×K	663.51	Joback Calculated Property
Cp,gas	445.15	J/mol×K	695.52	Joback Calculated Property
Cp,gas	456.47	J/mol×K	727.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Geranic acid methyl ester.

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.