Chemical Properties of Octadecanoic acid, 9,10-dihydroxy-, methyl ester (CAS 1115-01-1)

InChI

InChI=1S/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3

InChI Key

RITHLQKJQSKUAO-UHFFFAOYSA-N

Formula

C19H38O4

SMILES

CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC

Molecular Weight¹

330.50

CAS

1115-01-1

Other Names

• Methyl 9,10-dihydroxystearate
• methyl 9,10-dihydroxyoctadecanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1599		Relay (1.0) Calculated Property
ΔfH°gas	-1057.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.46	kJ/mol	Joback Calculated Property
ΔvapH°	136.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-4.38		Relay (1.0) Calculated Property
logPoct/wat	4.363		Crippen Calculated Property
McVol	297.750	ml/mol	McGowan Calculated Property
Pc	1242.46	kPa	Joback Calculated Property
Inp	[2612.00; 2612.00]
Inp	2612.00		NIST
Inp	2612.00		NIST
Tboil	630.38	K	Relay (1.0) Calculated Property
Tc	828.40	K	Relay (1.0) Calculated Property
Tfus	369.18	K	Relay (1.0) Calculated Property
Vc	1.137	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[989.41; 1073.32]	J/mol×K	[876.02; 1074.54]
Cp,gas	989.41	J/mol×K	876.02	Joback Calculated Property
Cp,gas	1006.01	J/mol×K	909.11	Joback Calculated Property
Cp,gas	1021.51	J/mol×K	942.19	Joback Calculated Property
Cp,gas	1035.96	J/mol×K	975.28	Joback Calculated Property
Cp,gas	1049.38	J/mol×K	1008.36	Joback Calculated Property
Cp,gas	1061.83	J/mol×K	1041.45	Joback Calculated Property
Cp,gas	1073.32	J/mol×K	1074.54	Joback Calculated Property
η	[0.0000014; 0.0013345]	Pa×s	[437.86; 876.02]
η	0.0013345	Pa×s	437.86	Joback Calculated Property
η	0.0001880	Pa×s	510.89	Joback Calculated Property
η	0.0000432	Pa×s	583.91	Joback Calculated Property
η	0.0000138	Pa×s	656.94	Joback Calculated Property
η	0.0000055	Pa×s	729.97	Joback Calculated Property
η	0.0000026	Pa×s	802.99	Joback Calculated Property
η	0.0000014	Pa×s	876.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 9,10-dihydroxy-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.