Chemical Properties of 2«beta»-acetoxy-6«alpha»-methoxyformyl-trans-decalin

InChI

InChI=1S/C14H22O4/c1-9(15)18-13-6-5-10-7-12(14(16)17-2)4-3-11(10)8-13/h10-13H,3-8H2,1-2H3/t10?,11?,12-,13+/m0/s1

InChI Key

NCMSMIKABKRKAE-IFWUJCSASA-N

Formula

C14H22O4

SMILES

COC(=O)C1CCC2CC(OC(C)=O)CCC2C1

Molecular Weight¹

254.32

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-833.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.60	kJ/mol	Joback Calculated Property
ΔvapH°	93.37	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	2.308		Crippen Calculated Property
McVol	201.280	ml/mol	McGowan Calculated Property
Inp	[1771.00; 1771.00]
Inp	1771.00		NIST
Inp	1771.00		NIST
I	2512.00		NIST
Tboil	579.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[608.68; 708.98]	J/mol×K	[693.52; 911.14]
Cp,gas	608.68	J/mol×K	693.52	Joback Calculated Property
Cp,gas	628.72	J/mol×K	729.79	Joback Calculated Property
Cp,gas	647.41	J/mol×K	766.06	Joback Calculated Property
Cp,gas	664.76	J/mol×K	802.33	Joback Calculated Property
Cp,gas	680.80	J/mol×K	838.60	Joback Calculated Property
Cp,gas	695.53	J/mol×K	874.87	Joback Calculated Property
Cp,gas	708.98	J/mol×K	911.14	Joback Calculated Property
η	[0.0003641; 0.0020657]	Pa×s	[405.18; 693.52]
η	0.0020657	Pa×s	405.18	Joback Calculated Property
η	0.0013268	Pa×s	453.24	Joback Calculated Property
η	0.0009277	Pa×s	501.29	Joback Calculated Property
η	0.0006906	Pa×s	549.35	Joback Calculated Property
η	0.0005390	Pa×s	597.41	Joback Calculated Property
η	0.0004366	Pa×s	645.46	Joback Calculated Property
η	0.0003641	Pa×s	693.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2«beta»-acetoxy-6«alpha»-methoxyformyl-trans-decalin.

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.
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