Chemical Properties of 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- (CAS 77-99-6)

InChI

InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3

InChI Key

ZJCCRDAZUWHFQH-UHFFFAOYSA-N

Formula

C6H14O3

SMILES

CCC(CO)(CO)CO

Molecular Weight¹

134.17

CAS

77-99-6

Other Names

• 1,1,1-Tri(hydroxymethyl)propane
• 1,1,1-Trimethylolpropane
• 1,1,1-Tris(Hydroxymethyl)propane
• 1,1,1-trihydroxymethylpropane
• 2,2-Bis(hydroxymethyl)-1-butanol
• 2,2-dihydroxymethyl-1-butanol
• 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol
• 2-Ethyl-2-(hydroxymethyl)propanediol
• Butanol, 2,2-bis(hydroxymethyl)-
• Ethriol
• Ethyltrimethylolmethane
• Etriol
• Ettriol
• Hexaglycerine
• Hexaglycerol
• Methanol, (propanetriyl)tris-
• NSC 3576
• Propane, 1,1,1-tris(hydroxymethyl)-
• TMP
• TMP (Alcohol)
• Tri(hydroxymethyl)propane
• Trimethylolpropane
• Tris(hydroxymethyl)propane
• propylidynetrimethanol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-3611.00	kJ/mol	NIST
ΔfG°	-407.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-632.61	kJ/mol	Joback Calculated Property
ΔfH°solid	[-751.00; -746.40]	kJ/mol
ΔfH°solid	-746.40	kJ/mol	NIST
ΔfH°solid	-751.00	kJ/mol	NIST
ΔfusH°	16.15	kJ/mol	Joback Calculated Property
ΔvapH°	77.69	kJ/mol	Joback Calculated Property
log10WS	0.12		Crippen Calculated Property
logPoct/wat	-0.640		Crippen Calculated Property
McVol	113.010	ml/mol	McGowan Calculated Property
Pc	4450.38	kPa	Joback Calculated Property
Tboil	609.99	K	Joback Calculated Property
Tc	772.16	K	Joback Calculated Property
Tfus	342.26	K	Joback Calculated Property
Ttriple	333.40 ± 0.05	K	NIST
Vc	0.417	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[304.02; 344.94]	J/mol×K	[609.99; 772.16]
Cp,gas	304.02	J/mol×K	609.99	Joback Calculated Property
Cp,gas	311.71	J/mol×K	637.02	Joback Calculated Property
Cp,gas	319.03	J/mol×K	664.05	Joback Calculated Property
Cp,gas	325.99	J/mol×K	691.08	Joback Calculated Property
Cp,gas	332.62	J/mol×K	718.11	Joback Calculated Property
Cp,gas	338.93	J/mol×K	745.13	Joback Calculated Property
Cp,gas	344.94	J/mol×K	772.16	Joback Calculated Property
Cp,solid	213.79	J/mol×K	301.29	NIST
η	[0.0000112; 0.0351304]	Pa×s	[342.26; 609.99]
η	0.0351304	Pa×s	342.26	Joback Calculated Property
η	0.0042401	Pa×s	386.88	Joback Calculated Property
η	0.0007925	Pa×s	431.50	Joback Calculated Property
η	0.0002028	Pa×s	476.12	Joback Calculated Property
η	0.0000656	Pa×s	520.75	Joback Calculated Property
η	0.0000253	Pa×s	565.37	Joback Calculated Property
η	0.0000112	Pa×s	609.99	Joback Calculated Property
ΔfusH	[0.90; 21.45]	kJ/mol	[312.00; 333.40]
ΔfusH	21.45	kJ/mol	312.00	NIST
ΔfusH	0.90	kJ/mol	332.70	NIST
ΔfusH	21.45	kJ/mol	333.40	NIST
ΔvapH	81.40	kJ/mol	501.50	NIST
ΔfusS	64.30	J/mol×K	333.40	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[451.21; 595.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.10282e+01
Coefficient B			-9.34767e+03
Coefficient C			-5.15000e-01
Temperature range, min.			451.21
Temperature range, max.			595.27
Pvap	1.33	kPa	451.21	Calculated Property
Pvap	2.72	kPa	467.22	Calculated Property
Pvap	5.28	kPa	483.22	Calculated Property
Pvap	9.82	kPa	499.23	Calculated Property
Pvap	17.60	kPa	515.24	Calculated Property
Pvap	30.43	kPa	531.24	Calculated Property
Pvap	50.96	kPa	547.25	Calculated Property
Pvap	82.87	kPa	563.26	Calculated Property
Pvap	131.20	kPa	579.26	Calculated Property
Pvap	202.64	kPa	595.27	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-.

Mixtures

• 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- + Water
• 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- + 1-Octanol + Water
• 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- + 1-Hexanol, 2-ethyl- + Water

Sources

• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibria for the Ternary and Quaternary Systems of Water + Trimethylolpropane + (2-Ethylhexan-1-ol/Octan-1-ol) + Formaldehyde at 298.15 K
• Partial Molar Isentropic Compressions and Partial Molar Volumes of Selected Branched Aliphatic Alcohols at Infinite Dilution in Water at Temperatures from T = (278 to 318) K and Atmospheric Pressure
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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