Chemical Properties of erythritol, acetylated

InChI

InChI=1S/C12H18O8/c1-7(13)17-5-11(19-9(3)15)12(20-10(4)16)6-18-8(2)14/h11-12H,5-6H2,1-4H3/t11-,12+

InChI Key

RSZROFFHBBZJAD-TXEJJXNPSA-N

Formula

C12H18O8

SMILES

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

Molecular Weight¹

290.27

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	0.7519		Relay (1.0) Calculated Property
ΔfG°	-1196.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1553.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.27	kJ/mol	Joback Calculated Property
ΔvapH°	96.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-0.86		Relay (1.0) Calculated Property
logPoct/wat	-0.024		Crippen Calculated Property
McVol	209.700	ml/mol	McGowan Calculated Property
Pc	1835.69	kPa	Joback Calculated Property
Inp	[1565.80; 1565.80]
Inp	1565.80		NIST
Inp	1565.80		NIST
Tboil	563.77	K	Relay (1.0) Calculated Property
Tc	735.95	K	Relay (1.0) Calculated Property
Tfus	305.04	K	Relay (1.0) Calculated Property
Vc	0.815	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.96; 652.09]	J/mol×K	[706.16; 893.64]
Cp,gas	588.96	J/mol×K	706.16	Joback Calculated Property
Cp,gas	601.85	J/mol×K	737.41	Joback Calculated Property
Cp,gas	613.82	J/mol×K	768.65	Joback Calculated Property
Cp,gas	624.85	J/mol×K	799.90	Joback Calculated Property
Cp,gas	634.91	J/mol×K	831.15	Joback Calculated Property
Cp,gas	644.00	J/mol×K	862.39	Joback Calculated Property
Cp,gas	652.09	J/mol×K	893.64	Joback Calculated Property
η	[0.0000482; 0.0028651]	Pa×s	[364.32; 706.16]
η	0.0028651	Pa×s	364.32	Joback Calculated Property
η	0.0009151	Pa×s	421.29	Joback Calculated Property
η	0.0003836	Pa×s	478.27	Joback Calculated Property
η	0.0001935	Pa×s	535.24	Joback Calculated Property
η	0.0001113	Pa×s	592.21	Joback Calculated Property
η	0.0000706	Pa×s	649.19	Joback Calculated Property
η	0.0000482	Pa×s	706.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to erythritol, acetylated.

Sources

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

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