Chemical Properties of 12-ethoxy-8 «alpha»,12-epoxy-13,14,15,16-tertanorlabdane

InChI

InChI=1S/C17H30O2/c1-5-18-15-11-12-13(19-15)7-8-14-16(2,3)9-6-10-17(12,14)4/h12-15H,5-11H2,1-4H3/t12?,13?,14?,15?,17-/m1/s1

InChI Key

OBRGPZOBPRRHJQ-UGQLREHASA-N

Formula

C17H30O2

SMILES

CCOC1CC2C(CCC3C(C)(C)CCCC23C)O1

Molecular Weight¹

266.42

• 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 : 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°	0.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.21	kJ/mol	Joback Calculated Property
ΔfusH°	25.57	kJ/mol	Joback Calculated Property
ΔvapH°	57.55	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	4.381		Crippen Calculated Property
McVol	229.550	ml/mol	McGowan Calculated Property
Pc	1743.37	kPa	Joback Calculated Property
I	[2317.00; 2353.00]
I	2317.00		NIST
I	2317.00		NIST
I	2320.00		NIST
I	2348.00		NIST
I	2353.00		NIST
Tboil	661.50	K	Joback Calculated Property
Tc	885.04	K	Joback Calculated Property
Tfus	404.97	K	Joback Calculated Property
Vc	0.859	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[707.36; 846.49]	J/mol×K	[661.50; 885.04]
Cp,gas	707.36	J/mol×K	661.50	Joback Calculated Property
Cp,gas	732.74	J/mol×K	698.76	Joback Calculated Property
Cp,gas	756.90	J/mol×K	736.01	Joback Calculated Property
Cp,gas	780.10	J/mol×K	773.27	Joback Calculated Property
Cp,gas	802.60	J/mol×K	810.52	Joback Calculated Property
Cp,gas	824.64	J/mol×K	847.78	Joback Calculated Property
Cp,gas	846.49	J/mol×K	885.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 12-ethoxy-8 «alpha»,12-epoxy-13,14,15,16-tertanorlabdane.

Sources

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

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