Chemical Properties of 2-Ethyl-2-methyl-1,3-propanediol (CAS 77-84-9)

InChI

InChI=1S/C6H14O2/c1-3-6(2,4-7)5-8/h7-8H,3-5H2,1-2H3

InChI Key

VNAWKNVDKFZFSU-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCC(C)(CO)CO

Molecular Weight¹

118.17

CAS

77-84-9

Other Names

• 1,3-Propanediol, 2-ethyl-2-methyl-
• 2-Methyl-2-ethyl-1,3-propanediol
• 2-ethyl-2-methylpropane-1,3-diol

• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• 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
ΔfG°	-271.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-480.38	kJ/mol	Joback Calculated Property
ΔfusH°	12.06	kJ/mol	Joback Calculated Property
ΔvapH°	61.01	kJ/mol	Joback Calculated Property
log10WS	-0.62		Crippen Calculated Property
logPoct/wat	0.387		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3950.57	kPa	Joback Calculated Property
Tboil	[498.95; 499.00]	K
Tboil	499.00	K	NIST
Tboil	498.95	K	NIST
Tc	683.21	K	Joback Calculated Property
Tfus	313.45	K	NIST
Vc	0.399	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.59; 306.56]	J/mol×K	[517.81; 683.21]
Cp,gas	258.59	J/mol×K	517.81	Joback Calculated Property
Cp,gas	267.62	J/mol×K	545.38	Joback Calculated Property
Cp,gas	276.20	J/mol×K	572.94	Joback Calculated Property
Cp,gas	284.37	J/mol×K	600.51	Joback Calculated Property
Cp,gas	292.14	J/mol×K	628.08	Joback Calculated Property
Cp,gas	299.53	J/mol×K	655.65	Joback Calculated Property
Cp,gas	306.56	J/mol×K	683.21	Joback Calculated Property
η	[0.0000768; 0.1240865]	Pa×s	[281.44; 517.81]
η	0.1240865	Pa×s	281.44	Joback Calculated Property
η	0.0170071	Pa×s	320.83	Joback Calculated Property
η	0.0036001	Pa×s	360.23	Joback Calculated Property
η	0.0010350	Pa×s	399.62	Joback Calculated Property
η	0.0003722	Pa×s	439.02	Joback Calculated Property
η	0.0001584	Pa×s	478.41	Joback Calculated Property
η	0.0000768	Pa×s	517.81	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[386.16; 525.26]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.63740e+01
Coefficient B			-4.92730e+03
Coefficient C			-7.98580e+01
Temperature range, min.			386.16
Temperature range, max.			525.26
Pvap	1.33	kPa	386.16	Calculated Property
Pvap	2.89	kPa	401.62	Calculated Property
Pvap	5.83	kPa	417.07	Calculated Property
Pvap	11.05	kPa	432.53	Calculated Property
Pvap	19.87	kPa	447.98	Calculated Property
Pvap	34.07	kPa	463.44	Calculated Property
Pvap	56.04	kPa	478.89	Calculated Property
Pvap	88.80	kPa	494.35	Calculated Property
Pvap	136.15	kPa	509.80	Calculated Property
Pvap	202.64	kPa	525.26	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethyl-2-methyl-1,3-propanediol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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