Chemical Properties of Galaxolide-I

InChI

InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3/t11?,12-/m1/s1

InChI Key

ONKNPOPIGWHAQC-PIJUOVFKSA-N

Formula

C18H26O

SMILES

CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C

Molecular Weight¹

258.40

• 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°	181.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.49	kJ/mol	Joback Calculated Property
ΔfusH°	26.94	kJ/mol	Joback Calculated Property
ΔvapH°	61.51	kJ/mol	Joback Calculated Property
log10WS	-4.80		Crippen Calculated Property
logPoct/wat	4.525		Crippen Calculated Property
McVol	224.870	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
I	[2345.00; 2345.00]
I	2345.00		NIST
I	2345.00		NIST
Tboil	688.70	K	Joback Calculated Property
Tc	920.33	K	Joback Calculated Property
Tfus	454.85	K	Joback Calculated Property
Vc	0.857	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.21; 783.89]	J/mol×K	[688.70; 920.33]
Cp,gas	660.21	J/mol×K	688.70	Joback Calculated Property
Cp,gas	681.77	J/mol×K	727.30	Joback Calculated Property
Cp,gas	702.55	J/mol×K	765.91	Joback Calculated Property
Cp,gas	722.86	J/mol×K	804.51	Joback Calculated Property
Cp,gas	742.99	J/mol×K	843.12	Joback Calculated Property
Cp,gas	763.23	J/mol×K	881.72	Joback Calculated Property
Cp,gas	783.89	J/mol×K	920.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Galaxolide-I.

Sources

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

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