Chemical Properties of 2«beta»-acetoxy-6«beta»-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-/m1/s1

InChI Key

NCMSMIKABKRKAE-FIYWTHMPSA-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_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°	-343.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.61	kJ/mol	Joback Calculated Property
ΔfusH°	27.60	kJ/mol	Joback Calculated Property
ΔvapH°	64.97	kJ/mol	Joback Calculated Property
log10WS	-2.58		Crippen Calculated Property
logPoct/wat	2.308		Crippen Calculated Property
McVol	201.280	ml/mol	McGowan Calculated Property
Pc	2111.94	kPa	Joback Calculated Property
Inp	[1804.00; 1804.00]
Inp	1804.00		NIST
Inp	1804.00		NIST
I	[2597.00; 2597.00]
I	2597.00		NIST
I	2597.00		NIST
Tboil	693.52	K	Joback Calculated Property
Tc	911.14	K	Joback Calculated Property
Tfus	405.18	K	Joback Calculated Property
Vc	0.748	m3/kmol	Joback Calculated Property

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«beta»-methoxyformyl-trans-decalin.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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