Chemical Properties of METHOXYCITRONELLAL

InChI

InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3

InChI Key

IDWULKZGRNHZNR-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

COC(C)(C)CCCC(C)CC=O

Molecular Weight¹

186.30

Other Names

• 1-Octanal, 3,7-dimethyl-7-methoxy-
• 3,7-Dimethyl-7-methoxy-1-octanal
• 7-Methoxy-3,7-dimethyloctanal
• Hydroxycitronellal methyl ether
• Methoxycitronellal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.79	kJ/mol	Joback Calculated Property
ΔvapH°	60.28	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.83		Relay (1.0) Calculated Property
logPoct/wat	2.807		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
I	[1839.00; 1839.00]
I	1839.00		NIST
I	1839.00		NIST
Tboil	495.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[418.67; 503.83]	J/mol×K	[518.49; 698.36]
Cp,gas	418.67	J/mol×K	518.49	Joback Calculated Property
Cp,gas	434.64	J/mol×K	548.47	Joback Calculated Property
Cp,gas	449.87	J/mol×K	578.45	Joback Calculated Property
Cp,gas	464.38	J/mol×K	608.42	Joback Calculated Property
Cp,gas	478.20	J/mol×K	638.40	Joback Calculated Property
Cp,gas	491.34	J/mol×K	668.38	Joback Calculated Property
Cp,gas	503.83	J/mol×K	698.36	Joback Calculated Property
η	[0.0002012; 0.0071253]	Pa×s	[265.38; 518.49]
η	0.0071253	Pa×s	265.38	Joback Calculated Property
η	0.0026152	Pa×s	307.56	Joback Calculated Property
η	0.0012224	Pa×s	349.75	Joback Calculated Property
η	0.0006730	Pa×s	391.94	Joback Calculated Property
η	0.0004161	Pa×s	434.12	Joback Calculated Property
η	0.0002802	Pa×s	476.31	Joback Calculated Property
η	0.0002012	Pa×s	518.49	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to METHOXYCITRONELLAL.

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.