Chemical Properties of 1,2-Propanediol, 2-methyl- (CAS 558-43-0)

InChI

InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3

InChI Key

BTVWZWFKMIUSGS-UHFFFAOYSA-N

Formula

C4H10O2

SMILES

CC(C)(O)CO

Molecular Weight¹

90.12

CAS

558-43-0

Other Names

• 2-Methyl-1,2-propanediol
• 2-methylpropane-1,2-diol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• P_vap : Vapor 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	0.6922		Relay (1.0) Calculated Property
ΔcH°liquid	-2464.00	kJ/mol	NIST
ΔfG°	-288.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.15	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-540.00	kJ/mol	NIST
ΔfusH°	6.88	kJ/mol	Joback Calculated Property
ΔvapH°	72.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	0.59		Relay (1.0) Calculated Property
logPoct/wat	-0.250		Crippen Calculated Property
McVol	78.960	ml/mol	McGowan Calculated Property
Pc	5109.34	kPa	Joback Calculated Property
Inp	[718.00; 816.00]
Inp	718.00		NIST
Inp	816.00		NIST
Inp	718.00		NIST
Inp	816.00		NIST
Tboil	[450.15; 451.15]	K
Tboil	451.15 ± 2.00	K	NIST
Tboil	450.65 ± 2.00	K	NIST
Tboil	450.15 ± 3.00	K	NIST
Tc	641.71	K	Relay (1.0) Calculated Property
Tfus	311.72	K	Relay (1.0) Calculated Property
Vc	0.294	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.88; 264.50]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.46390e+01
Coefficient B			5.77640e-01
Coefficient C			-4.26400e-04
Coefficient D			1.27900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.88	J/mol×K	273.00	Calculated Property
Cp,gas	142.01	J/mol×K	353.78	Calculated Property
Cp,gas	166.35	J/mol×K	434.56	Calculated Property
Cp,gas	187.30	J/mol×K	515.33	Calculated Property
Cp,gas	205.27	J/mol×K	596.11	Calculated Property
Cp,gas	220.66	J/mol×K	676.89	Calculated Property
Cp,gas	233.87	J/mol×K	757.67	Calculated Property
Cp,gas	245.31	J/mol×K	838.44	Calculated Property
Cp,gas	255.39	J/mol×K	919.22	Calculated Property
Cp,gas	264.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2785684; 0.0002261]	Pa×s	[258.90; 447.86]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.81448e+01
Coefficient B			4.36680e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			258.90
Temperature range, max.			447.86
η	0.2785684	Pa×s	258.90	Calculated Property
η	0.0786078	Pa×s	279.90	Calculated Property
η	0.0264655	Pa×s	300.89	Calculated Property
η	0.0102700	Pa×s	321.89	Calculated Property
η	0.0044751	Pa×s	342.88	Calculated Property
η	0.0021462	Pa×s	363.88	Calculated Property
η	0.0011152	Pa×s	384.87	Calculated Property
η	0.0006201	Pa×s	405.87	Calculated Property
η	0.0003653	Pa×s	426.86	Calculated Property
η	0.0002261	Pa×s	447.86	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[347.92; 475.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64216e+01
Coefficient B			-4.53931e+03
Coefficient C			-6.65700e+01
Temperature range, min.			347.92
Temperature range, max.			475.14
Pvap	1.33	kPa	347.92	Calculated Property
Pvap	2.88	kPa	362.06	Calculated Property
Pvap	5.82	kPa	376.19	Calculated Property
Pvap	11.03	kPa	390.33	Calculated Property
Pvap	19.83	kPa	404.46	Calculated Property
Pvap	34.02	kPa	418.60	Calculated Property
Pvap	55.96	kPa	432.73	Calculated Property
Pvap	88.72	kPa	446.87	Calculated Property
Pvap	136.08	kPa	461.00	Calculated Property
Pvap	202.63	kPa	475.14	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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