Chemical Properties of (Z)-«alpha»-Santalol

InChI

InChI=1S/C16H26O/c1-10(9-17)5-4-6-11(2)15-12-7-13-14(8-12)16(13,15)3/h5,11-15,17H,4,6-9H2,1-3H3/b10-5-/t11?,12-,13?,14?,15?,16+

InChI Key

UWSUGXFVYBVFDX-OPAXWRLRSA-N

Formula

C16H26O

SMILES

CC(=CCCC(C)C1C2CC3C(C2)C31C)CO

Molecular Weight¹

234.38

• 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°	201.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.37	kJ/mol	Joback Calculated Property
ΔfusH°	31.10	kJ/mol	Joback Calculated Property
ΔvapH°	65.17	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	3.633		Crippen Calculated Property
McVol	205.290	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback Calculated Property
Inp	[1647.00; 1691.00]
Inp	1678.00		NIST
Inp	1667.00		NIST
Inp	1680.00		NIST
Inp	1658.00		NIST
Inp	1680.00		NIST
Inp	1678.00		NIST
Inp	1671.00		NIST
Inp	1691.00		NIST
Inp	1674.00		NIST
Inp	Outlier 1647.00		NIST
Inp	1652.00		NIST
Inp	1678.00		NIST
Inp	1679.00		NIST
Inp	1679.00		NIST
Inp	1667.00		NIST
Inp	1678.00		NIST
Inp	1679.00		NIST
I	[2316.00; 2350.00]
I	2316.00		NIST
I	2350.00		NIST
I	2350.00		NIST
Tboil	663.84	K	Joback Calculated Property
Tc	852.58	K	Joback Calculated Property
Tfus	373.14	K	Joback Calculated Property
Vc	0.808	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.77; 717.77]	J/mol×K	[663.84; 852.58]
Cp,gas	623.77	J/mol×K	663.84	Joback Calculated Property
Cp,gas	640.87	J/mol×K	695.30	Joback Calculated Property
Cp,gas	657.19	J/mol×K	726.75	Joback Calculated Property
Cp,gas	672.89	J/mol×K	758.21	Joback Calculated Property
Cp,gas	688.11	J/mol×K	789.67	Joback Calculated Property
Cp,gas	703.02	J/mol×K	821.12	Joback Calculated Property
Cp,gas	717.77	J/mol×K	852.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-«alpha»-Santalol.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.