Chemical Properties of Ambrox (CAS 65588-69-4)

InChI

InChI=1S/C15H26O/c1-14(2)8-4-9-15(3)11-7-10-16-12(11)5-6-13(14)15/h11-13H,4-10H2,1-3H3

InChI Key

IPEPBOBQYDJNON-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1(C)CCCC2(C)C3CCOC3CCC12

Molecular Weight¹

222.37

CAS

65588-69-4

• 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_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°	96.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-301.37	kJ/mol	Joback Calculated Property
ΔfusH°	18.14	kJ/mol	Joback Calculated Property
ΔvapH°	51.00	kJ/mol	Joback Calculated Property
log10WS	-4.02		Crippen Calculated Property
logPoct/wat	4.018		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2157.31	kPa	Joback Calculated Property
Inp	[1748.00; 1756.00]
Inp	1756.00		NIST
Inp	1748.00		NIST
I	2199.00		NIST
Tboil	597.99	K	Joback Calculated Property
Tc	833.63	K	Joback Calculated Property
Tfus	364.44	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[563.04; 697.32]	J/mol×K	[597.99; 833.63]
Cp,gas	563.04	J/mol×K	597.99	Joback Calculated Property
Cp,gas	588.46	J/mol×K	637.26	Joback Calculated Property
Cp,gas	612.24	J/mol×K	676.54	Joback Calculated Property
Cp,gas	634.70	J/mol×K	715.81	Joback Calculated Property
Cp,gas	656.16	J/mol×K	755.09	Joback Calculated Property
Cp,gas	676.92	J/mol×K	794.36	Joback Calculated Property
Cp,gas	697.32	J/mol×K	833.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ambrox.

Sources

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

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