Chemical Properties of (Z)-Sesquilavandulol

InChI

InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9-

InChI Key

JTSPVWIYQLSMER-ZROIWOOFSA-N

Formula

C15H26O

SMILES

C=C(C)C(CO)CC=C(C)CCC=C(C)C

Molecular Weight¹

222.37

Other Names

• cis-Sesquilavandulol

• 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.
• 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°	158.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.94	kJ/mol	Joback Calculated Property
ΔfusH°	30.36	kJ/mol	Joback Calculated Property
ΔvapH°	64.76	kJ/mol	Joback Calculated Property
log10WS	-4.68		Crippen Calculated Property
logPoct/wat	4.254		Crippen Calculated Property
McVol	215.180	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
Inp	[1567.00; 1606.00]
Inp	1598.00		NIST
Inp	1606.00		NIST
Inp	1567.00		NIST
Inp	1574.00		NIST
Inp	1606.00		NIST
Inp	1598.00		NIST
Inp	1606.00		NIST
Tboil	638.98	K	Joback Calculated Property
Tc	817.59	K	Joback Calculated Property
Tfus	250.83	K	Joback Calculated Property
Vc	0.833	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.53; 656.23]	J/mol×K	[638.98; 817.59]
Cp,gas	572.53	J/mol×K	638.98	Joback Calculated Property
Cp,gas	588.24	J/mol×K	668.75	Joback Calculated Property
Cp,gas	603.19	J/mol×K	698.52	Joback Calculated Property
Cp,gas	617.41	J/mol×K	728.29	Joback Calculated Property
Cp,gas	630.96	J/mol×K	758.06	Joback Calculated Property
Cp,gas	643.89	J/mol×K	787.82	Joback Calculated Property
Cp,gas	656.23	J/mol×K	817.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-Sesquilavandulol.

Sources

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

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