Chemical Properties of 1,2,4-Butanetriol, triacetate (CAS 14835-47-3)

InChI

InChI=1S/C10H16O6/c1-7(11)14-5-4-10(16-9(3)13)6-15-8(2)12/h10H,4-6H2,1-3H3

InChI Key

RPOOYSKKKVGNAP-UHFFFAOYSA-N

Formula

C10H16O6

SMILES

CC(=O)OCCC(COC(C)=O)OC(C)=O

Molecular Weight¹

232.23

CAS

14835-47-3

Other Names

• butane-1,2,4-triol, acetylated

• 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	0.6925		Relay (1.0) Calculated Property
ΔfH°gas	-1189.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.24	kJ/mol	Joback Calculated Property
ΔvapH°	83.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-0.88		Relay (1.0) Calculated Property
logPoct/wat	0.434		Crippen Calculated Property
McVol	174.080	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Inp	[1399.20; 1399.20]
Inp	1399.20		NIST
Inp	1399.20		NIST
Tboil	527.79	K	Relay (1.0) Calculated Property
Tc	700.16	K	Relay (1.0) Calculated Property
Tfus	269.35	K	Relay (1.0) Calculated Property
Vc	0.667	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	[446.63; 514.25]	J/mol×K	[602.62; 785.51]
Cp,gas	446.63	J/mol×K	602.62	Joback Calculated Property
Cp,gas	459.61	J/mol×K	633.10	Joback Calculated Property
Cp,gas	471.92	J/mol×K	663.58	Joback Calculated Property
Cp,gas	483.56	J/mol×K	694.07	Joback Calculated Property
Cp,gas	494.49	J/mol×K	724.55	Joback Calculated Property
Cp,gas	504.73	J/mol×K	755.03	Joback Calculated Property
Cp,gas	514.25	J/mol×K	785.51	Joback Calculated Property
η	[0.0001074; 0.0045202]	Pa×s	[314.45; 602.62]
η	0.0045202	Pa×s	314.45	Joback Calculated Property
η	0.0016038	Pa×s	362.48	Joback Calculated Property
η	0.0007252	Pa×s	410.51	Joback Calculated Property
η	0.0003872	Pa×s	458.53	Joback Calculated Property
η	0.0002329	Pa×s	506.56	Joback Calculated Property
η	0.0001530	Pa×s	554.59	Joback Calculated Property
η	0.0001074	Pa×s	602.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Butanetriol, triacetate.

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.