Chemical Properties of M-xylene-alpha,alpha'-diol, 2-hydroxy-5-(3-methyl-2-buten-1-yl)- (CAS 116632-93-0)

InChI

InChI=1S/C13H18O3/c1-9(2)3-4-10-5-11(7-14)13(16)12(6-10)8-15/h3,5-6,14-16H,4,7-8H2,1-2H3

InChI Key

NCWXUUYNQITKOB-UHFFFAOYSA-N

Formula

C13H18O3

SMILES

CC(C)=CCc1cc(CO)c(O)c(CO)c1

Molecular Weight¹

222.28

CAS

116632-93-0

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[535.90; 594.97]	J/mol×K	[802.50; 1002.34]
Cp,gas	535.90	J/mol×K	802.50	Joback Calculated Property
Cp,gas	546.50	J/mol×K	835.81	Joback Calculated Property
Cp,gas	556.70	J/mol×K	869.11	Joback Calculated Property
Cp,gas	566.58	J/mol×K	902.42	Joback Calculated Property
Cp,gas	576.20	J/mol×K	935.73	Joback Calculated Property
Cp,gas	585.64	J/mol×K	969.03	Joback Calculated Property
Cp,gas	594.97	J/mol×K	1002.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to M-xylene-alpha,alpha'-diol, 2-hydroxy-5-(3-methyl-2-buten-1-yl)-.

Sources

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

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