Chemical Properties of mannitol, acetylated

InChI

InChI=1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3/t15-,16-,17-,18-/m0/s1

InChI Key

NJVBTKVPPOFGAT-UHFFFAOYSA-N

Formula

C18H26O12

SMILES

CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O

Molecular Weight¹

434.39

• 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	0.9556		Relay (1.0) Calculated Property
ΔfH°gas	-2270.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.50	kJ/mol	Joback Calculated Property
ΔvapH°	113.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-0.97		Relay (1.0) Calculated Property
logPoct/wat	-0.161		Crippen Calculated Property
McVol	309.120	ml/mol	McGowan Calculated Property
Pc	1202.29	kPa	Joback Calculated Property
Inp	[2054.20; 2054.20]
Inp	2054.20		NIST
Inp	2054.20		NIST
Tboil	628.67	K	Relay (1.0) Calculated Property
Tc	793.72	K	Relay (1.0) Calculated Property
Tfus	355.30	K	Relay (1.0) Calculated Property
Vc	1.178	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	[989.90; 1008.68]	J/mol×K	[959.00; 1174.14]
Cp,gas	989.90	J/mol×K	959.00	Joback Calculated Property
Cp,gas	997.81	J/mol×K	994.86	Joback Calculated Property
Cp,gas	1003.60	J/mol×K	1030.71	Joback Calculated Property
Cp,gas	1007.24	J/mol×K	1066.57	Joback Calculated Property
Cp,gas	1008.68	J/mol×K	1102.42	Joback Calculated Property
Cp,gas	1007.88	J/mol×K	1138.28	Joback Calculated Property
Cp,gas	1004.81	J/mol×K	1174.14	Joback Calculated Property
η	[0.0000050; 0.0004757]	Pa×s	[486.60; 959.00]
η	0.0004757	Pa×s	486.60	Joback Calculated Property
η	0.0001314	Pa×s	565.33	Joback Calculated Property
η	0.0000497	Pa×s	644.07	Joback Calculated Property
η	0.0000232	Pa×s	722.80	Joback Calculated Property
η	0.0000126	Pa×s	801.53	Joback Calculated Property
η	0.0000076	Pa×s	880.27	Joback Calculated Property
η	0.0000050	Pa×s	959.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to mannitol, acetylated.

Sources

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

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