Chemical Properties of 1,2-Propanediol, diacetate (CAS 623-84-7)

InChI

InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3

InChI Key

MLHOXUWWKVQEJB-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

CC(=O)OCC(C)OC(C)=O

Molecular Weight¹

160.17

CAS

623-84-7

Other Names

• 1,2-Diacetoxypropane
• Methylethylene acetate
• Methylethylene diacetate
• Propylene acetate
• Propylene diacetate
• 1,2-Propylene diacetate
• Propylene glycol diacetate
• «alpha»-Propylene glycol diacetate
• 1,2-Propylene glycol diacetate
• Propane-1,2-diol diacetate
• 1,2-Propanediol, 1,2-diacetate
• NSC 75843
• 2-(Acetyloxy)-1-methylethyl acetate
• propane-1,2-diyl diacetate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔfG°	-462.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-682.69	kJ/mol	Joback Calculated Property
ΔfusH°	15.94	kJ/mol	Joback Calculated Property
ΔvapH°	49.10	kJ/mol	Joback Calculated Property
log10WS	-0.59		Crippen Calculated Property
logPoct/wat	0.501		Crippen Calculated Property
McVol	124.370	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	[996.00; 1018.50]
Inp	1000.00		NIST
Inp	997.00		NIST
Inp	999.00		NIST
Inp	1000.00		NIST
Inp	998.00		NIST
Inp	999.00		NIST
Inp	1002.00		NIST
Inp	996.00		NIST
Inp	996.00		NIST
Inp	998.00		NIST
Inp	1001.00		NIST
Inp	996.00		NIST
Inp	Outlier 1018.50		NIST
I	[1496.00; 1545.00]
I	1545.00		NIST
I	1496.00		NIST
I	1496.00		NIST
Tboil	463.70	K	NIST
Tc	701.34	K	Joback Calculated Property
Tfus	297.97	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.59; 336.95]	J/mol×K	[511.70; 701.34]
Cp,gas	278.59	J/mol×K	511.70	Joback Calculated Property
Cp,gas	289.32	J/mol×K	543.31	Joback Calculated Property
Cp,gas	299.65	J/mol×K	574.91	Joback Calculated Property
Cp,gas	309.59	J/mol×K	606.52	Joback Calculated Property
Cp,gas	319.13	J/mol×K	638.13	Joback Calculated Property
Cp,gas	328.25	J/mol×K	669.73	Joback Calculated Property
Cp,gas	336.95	J/mol×K	701.34	Joback Calculated Property
η	[0.0002344; 0.0027013]	Pa×s	[297.97; 511.70]
η	0.0027013	Pa×s	297.97	Joback Calculated Property
η	0.0014459	Pa×s	333.59	Joback Calculated Property
η	0.0008732	Pa×s	369.21	Joback Calculated Property
η	0.0005762	Pa×s	404.84	Joback Calculated Property
η	0.0004067	Pa×s	440.46	Joback Calculated Property
η	0.0003024	Pa×s	476.08	Joback Calculated Property
η	0.0002344	Pa×s	511.70	Joback Calculated Property
ΔvapH	54.90	kJ/mol	342.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,2-Propanediol, diacetate.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.