Chemical Properties of Geranyl ethyl ether, # 1 (CAS 40267-72-9)

InChI

InChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChI Key

LOUIMJFJROISMD-FMIVXFBMSA-N

Formula

C12H22O

SMILES

CCOCC=C(C)CCC=C(C)C

Molecular Weight¹

182.30

CAS

40267-72-9

Other Names

• Nerylethyl ether
• Geranyl ethyl ether, # 2
• Geranylethyl ether
• 1-ethoxy-3,7-dimethylocta-2,6-diene
• Geranyl ethyl ether 1

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point 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	-272.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.81	kJ/mol	Joback Calculated Property
ΔvapH°	62.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.716		Crippen Calculated Property
McVol	177.210	ml/mol	McGowan Calculated Property
Inp	[1255.00; 1275.00]
Inp	1255.00		NIST
Inp	1275.00		NIST
Ip	[1476.00; 1519.00]
Ip	1476.00		NIST
Ip	1506.00		NIST
Ip	1519.00		NIST
Ip	1484.00		NIST
Tboil	491.44	K	Relay (1.0) Calculated Property
Tfus	199.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.75; 595.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.02660e+01
Coefficient B			1.12048e+00
Coefficient C			-6.90200e-04
Coefficient D			1.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.75	J/mol×K	273.00	Calculated Property
Cp,gas	307.51	J/mol×K	353.78	Calculated Property
Cp,gas	360.69	J/mol×K	434.56	Calculated Property
Cp,gas	407.84	J/mol×K	515.33	Calculated Property
Cp,gas	449.52	J/mol×K	596.11	Calculated Property
Cp,gas	486.28	J/mol×K	676.89	Calculated Property
Cp,gas	518.67	J/mol×K	757.67	Calculated Property
Cp,gas	547.26	J/mol×K	838.44	Calculated Property
Cp,gas	572.59	J/mol×K	919.22	Calculated Property
Cp,gas	595.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Geranyl ethyl ether, # 1.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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