Chemical Properties of dl-Erythro-1-phenyl-1,2-propanediol (CAS 1075-04-3)

InChI

InChI=1S/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3

InChI Key

MZQZXSHFWDHNOW-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

CC(O)C(O)c1ccccc1

Molecular Weight¹

152.19

CAS

1075-04-3

Other Names

• erythro-1-Phenylpropane-1,2-diol
• 1-phenyl-1,2-propanediol

• 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).
• I : 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
ΔfG°	-141.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-307.58	kJ/mol	Joback Calculated Property
ΔfusH°	14.24	kJ/mol	Joback Calculated Property
ΔvapH°	70.49	kJ/mol	Joback Calculated Property
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	1.101		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	4156.97	kPa	Joback Calculated Property
I	[2361.00; 2365.00]
I	2361.00		NIST
I	2365.00		NIST
I	2361.00		NIST
Tboil	615.48	K	Joback Calculated Property
Tc	806.73	K	Joback Calculated Property
Tfus	309.25	K	Joback Calculated Property
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.07; 367.90]	J/mol×K	[615.48; 806.73]
Cp,gas	316.07	J/mol×K	615.48	Joback Calculated Property
Cp,gas	326.11	J/mol×K	647.35	Joback Calculated Property
Cp,gas	335.54	J/mol×K	679.23	Joback Calculated Property
Cp,gas	344.41	J/mol×K	711.10	Joback Calculated Property
Cp,gas	352.74	J/mol×K	742.98	Joback Calculated Property
Cp,gas	360.56	J/mol×K	774.85	Joback Calculated Property
Cp,gas	367.90	J/mol×K	806.73	Joback Calculated Property
η	[0.0000252; 0.0489968]	Pa×s	[309.25; 615.48]
η	0.0489968	Pa×s	309.25	Joback Calculated Property
η	0.0056746	Pa×s	360.29	Joback Calculated Property
η	0.0011221	Pa×s	411.33	Joback Calculated Property
η	0.0003174	Pa×s	462.37	Joback Calculated Property
η	0.0001154	Pa×s	513.40	Joback Calculated Property
η	0.0000504	Pa×s	564.44	Joback Calculated Property
η	0.0000252	Pa×s	615.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to dl-Erythro-1-phenyl-1,2-propanediol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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